diff --git a/Pipfile b/Pipfile
deleted file mode 100644
index ae70530..0000000
--- a/Pipfile
+++ /dev/null
@@ -1,23 +0,0 @@
-[[source]]
-url = "https://pypi.org/simple"
-verify_ssl = true
-name = "pypi"
-
-[packages]
-numpy = "*"
-pickle5 = "*"
-argparse = "*"
-pyinstaller = "*"
-setproctitle = "*"
-pyyaml = "*"
-nptyping = "*"
-intel-openmp = "*"
-typing = "*"
-dacite = "*"
-
-[dev-packages]
-pyinstaller = "*"
-coverage = "*"
-
-[requires]
-python_version = "3.8"
diff --git a/Pipfile.lock b/Pipfile.lock
deleted file mode 100644
index 65b18c9..0000000
--- a/Pipfile.lock
+++ /dev/null
@@ -1,377 +0,0 @@
-{
-    "_meta": {
-        "hash": {
-            "sha256": "6d97338a51c2b51f6dcbcdbee2533e22d29634f07914cfc05b32f8476e9346ed"
-        },
-        "pipfile-spec": 6,
-        "requires": {
-            "python_version": "3.8"
-        },
-        "sources": [
-            {
-                "name": "pypi",
-                "url": "https://pypi.org/simple",
-                "verify_ssl": true
-            }
-        ]
-    },
-    "default": {
-        "altgraph": {
-            "hashes": [
-                "sha256:ad33358114df7c9416cdb8fa1eaa5852166c505118717021c6a8c7c7abbd03dd",
-                "sha256:c8ac1ca6772207179ed8003ce7687757c04b0b71536f81e2ac5755c6226458fe"
-            ],
-            "version": "==0.17.3"
-        },
-        "argparse": {
-            "hashes": [
-                "sha256:62b089a55be1d8949cd2bc7e0df0bddb9e028faefc8c32038cc84862aefdd6e4",
-                "sha256:c31647edb69fd3d465a847ea3157d37bed1f95f19760b11a47aa91c04b666314"
-            ],
-            "index": "pypi",
-            "version": "==1.4.0"
-        },
-        "dacite": {
-            "hashes": [
-                "sha256:6257a5e505b61a8cafee7ef3ad08cf32ee9b885718f42395d017e0a9b4c6af65",
-                "sha256:f7b1205cc5d9b62835aac8cbc1e6e37c1da862359a401f1edbe2ae08fbdc6193"
-            ],
-            "index": "pypi",
-            "version": "==1.8.0"
-        },
-        "intel-openmp": {
-            "hashes": [
-                "sha256:0ca275fd223bda7b835f3b30221ee462e934468738dcbb26741c57e795f09818",
-                "sha256:0e3166732d0a2105988e538baaffff1182fd5a23883da255b3bf62c187475b46",
-                "sha256:39308882e7bcdbd17e2d2b3be96e34ed475f60205bc90cb86694d0bcfc955bbc",
-                "sha256:523094cd2593d31c71ce2d6b2942389fa9d231dce9f8825bfec9e2fdc545e037",
-                "sha256:7bd67f60ca3da7dbe39ab2a296b5322f8e8248d59d7573068deeeb9b0f901895"
-            ],
-            "index": "pypi",
-            "version": "==2023.1.0"
-        },
-        "nptyping": {
-            "hashes": [
-                "sha256:764e51836faae33a7ae2e928af574cfb701355647accadcc89f2ad793630b7c8",
-                "sha256:e3d35b53af967e6fb407c3016ff9abae954d3a0568f7cc13a461084224e8e20a"
-            ],
-            "index": "pypi",
-            "version": "==2.5.0"
-        },
-        "numpy": {
-            "hashes": [
-                "sha256:0ec87a7084caa559c36e0a2309e4ecb1baa03b687201d0a847c8b0ed476a7187",
-                "sha256:1a7d6acc2e7524c9955e5c903160aa4ea083736fde7e91276b0e5d98e6332812",
-                "sha256:202de8f38fc4a45a3eea4b63e2f376e5f2dc64ef0fa692838e31a808520efaf7",
-                "sha256:210461d87fb02a84ef243cac5e814aad2b7f4be953b32cb53327bb49fd77fbb4",
-                "sha256:2d926b52ba1367f9acb76b0df6ed21f0b16a1ad87c6720a1121674e5cf63e2b6",
-                "sha256:352ee00c7f8387b44d19f4cada524586f07379c0d49270f87233983bc5087ca0",
-                "sha256:35400e6a8d102fd07c71ed7dcadd9eb62ee9a6e84ec159bd48c28235bbb0f8e4",
-                "sha256:3c1104d3c036fb81ab923f507536daedc718d0ad5a8707c6061cdfd6d184e570",
-                "sha256:4719d5aefb5189f50887773699eaf94e7d1e02bf36c1a9d353d9f46703758ca4",
-                "sha256:4749e053a29364d3452c034827102ee100986903263e89884922ef01a0a6fd2f",
-                "sha256:5342cf6aad47943286afa6f1609cad9b4266a05e7f2ec408e2cf7aea7ff69d80",
-                "sha256:56e48aec79ae238f6e4395886b5eaed058abb7231fb3361ddd7bfdf4eed54289",
-                "sha256:76e3f4e85fc5d4fd311f6e9b794d0c00e7002ec122be271f2019d63376f1d385",
-                "sha256:7776ea65423ca6a15255ba1872d82d207bd1e09f6d0894ee4a64678dd2204078",
-                "sha256:784c6da1a07818491b0ffd63c6bbe5a33deaa0e25a20e1b3ea20cf0e43f8046c",
-                "sha256:8535303847b89aa6b0f00aa1dc62867b5a32923e4d1681a35b5eef2d9591a463",
-                "sha256:9a7721ec204d3a237225db3e194c25268faf92e19338a35f3a224469cb6039a3",
-                "sha256:a1d3c026f57ceaad42f8231305d4653d5f05dc6332a730ae5c0bea3513de0950",
-                "sha256:ab344f1bf21f140adab8e47fdbc7c35a477dc01408791f8ba00d018dd0bc5155",
-                "sha256:ab5f23af8c16022663a652d3b25dcdc272ac3f83c3af4c02eb8b824e6b3ab9d7",
-                "sha256:ae8d0be48d1b6ed82588934aaaa179875e7dc4f3d84da18d7eae6eb3f06c242c",
-                "sha256:c91c4afd8abc3908e00a44b2672718905b8611503f7ff87390cc0ac3423fb096",
-                "sha256:d5036197ecae68d7f491fcdb4df90082b0d4960ca6599ba2659957aafced7c17",
-                "sha256:d6cc757de514c00b24ae8cf5c876af2a7c3df189028d68c0cb4eaa9cd5afc2bf",
-                "sha256:d933fabd8f6a319e8530d0de4fcc2e6a61917e0b0c271fded460032db42a0fe4",
-                "sha256:ea8282b9bcfe2b5e7d491d0bf7f3e2da29700cec05b49e64d6246923329f2b02",
-                "sha256:ecde0f8adef7dfdec993fd54b0f78183051b6580f606111a6d789cd14c61ea0c",
-                "sha256:f21c442fdd2805e91799fbe044a7b999b8571bb0ab0f7850d0cb9641a687092b"
-            ],
-            "index": "pypi",
-            "version": "==1.24.3"
-        },
-        "pickle5": {
-            "hashes": [
-                "sha256:7e013be68ba7dde1de5a8dbcc241f201dab1126e326715916ce4a26c27919ffc"
-            ],
-            "index": "pypi",
-            "version": "==0.0.11"
-        },
-        "pyinstaller": {
-            "hashes": [
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-                "sha256:2d16641a495593d174504263b038a6d3d46b3b15a381ccb216cf6cce67723512",
-                "sha256:333b4ffda38d9c0a561c38429dd9848d37aa78f3b8ea8a6f2b2e69a60d523c02",
-                "sha256:6afc7aa4885ffd3e6121a8cf2138830099f874c18cb5869bed8c1a42db82d060",
-                "sha256:6ecc464bf56919bf2d6bff275f38d85ff08ae747b8ead3a0c26cf85573b3c723",
-                "sha256:7a1db833bb0302b66ae3ae337fbd5487699658ce869ca4d538b5359b8179e83a",
-                "sha256:85e39e36d03355423636907a26a9bfa06fdc93cb1086441b19d2d0ca448479fa",
-                "sha256:915a502802c751bafd92d568ac57468ec6cdf252b8308aa9a167bbc2c565ad2d",
-                "sha256:9e9a38f41f8280c8e29b294716992852281b41fbe64ba330ebab671efe27b26d",
-                "sha256:bb7de35cd209a0a0358aec761a273ae951d2161c03728f15d9a640d06a88e472",
-                "sha256:df97aaf1103a1c485aa3c9947792a86675e370f5ce9b436b4a84e34a4180c8d2",
-                "sha256:f677fbc151db1eb00ada94e86ed128e7b359cbd6bf3f6ea815afdde687692d46"
-            ],
-            "index": "pypi",
-            "version": "==5.10.1"
-        },
-        "pyinstaller-hooks-contrib": {
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-            "markers": "python_version >= '3.7'",
-            "version": "==2023.2"
-        },
-        "pyyaml": {
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-                "sha256:f104fa03692a2602fa0fec6c6a9e63b6c8a968de13e17c026957dd1f53d80990"
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-            "version": "==67.7.2"
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-            "index": "pypi",
-            "version": "==3.7.4.3"
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-        "typing-extensions": {
-            "hashes": [
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-            "markers": "python_version < '3.10'",
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-                "sha256:9e9a38f41f8280c8e29b294716992852281b41fbe64ba330ebab671efe27b26d",
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-            "version": "==5.10.1"
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-        "pyinstaller-hooks-contrib": {
-            "hashes": [
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-                "sha256:e02c5f0ee3d4f5814588c2128caf5036c058ba764aaf24d957bb5311ad8690ad"
-            ],
-            "markers": "python_version >= '3.7'",
-            "version": "==2023.2"
-        },
-        "setuptools": {
-            "hashes": [
-                "sha256:23aaf86b85ca52ceb801d32703f12d77517b2556af839621c641fca11287952b",
-                "sha256:f104fa03692a2602fa0fec6c6a9e63b6c8a968de13e17c026957dd1f53d80990"
-            ],
-            "markers": "python_version >= '3.7'",
-            "version": "==67.7.2"
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-}
diff --git a/diceplayer/player.py b/diceplayer/player.py
index 677ec3d..11a3df2 100644
--- a/diceplayer/player.py
+++ b/diceplayer/player.py
@@ -1,5 +1,3 @@
-import pickle
-
 from diceplayer.shared.interface.gaussian_interface import GaussianInterface
 from diceplayer.shared.interface.dice_interface import DiceInterface
 from diceplayer.shared.utils.dataclass_protocol import Dataclass
@@ -16,6 +14,7 @@ from diceplayer import logger
 from dataclasses import fields
 from typing import Type, Tuple
 from pathlib import Path
+import pickle
 import yaml
 import sys
 import os
diff --git a/diceplayer/shared/interface/dice_interface.py b/diceplayer/shared/interface/dice_interface.py
index f79bc0a..4b28774 100644
--- a/diceplayer/shared/interface/dice_interface.py
+++ b/diceplayer/shared/interface/dice_interface.py
@@ -166,14 +166,11 @@ class DiceInterface(Interface):
     def _make_init_file(self, proc_dir: Path, last_xyz_file: TextIO):
         xyz_lines = last_xyz_file.readlines()
 
-        HEADER_LENGTH = 2
-        MAIN_MOLECULE_LENGTH = len(self.system.molecule[0].atom)
-
-        SECONDARY_MOLECULES_LENGTH = HEADER_LENGTH + MAIN_MOLECULE_LENGTH
+        SECONDARY_MOLECULE_LENGTH = 0
         for i in range(1, len(self.step.dice.nmol)):
-            SECONDARY_MOLECULES_LENGTH += self.step.dice.nmol[i] * len(self.system.molecule[i].atom)
+            SECONDARY_MOLECULE_LENGTH += self.step.dice.nmol[i] * len(self.system.molecule[i].atom)
 
-        xyz_lines = xyz_lines[HEADER_LENGTH + MAIN_MOLECULE_LENGTH: SECONDARY_MOLECULES_LENGTH]
+        xyz_lines = xyz_lines[-SECONDARY_MOLECULE_LENGTH:]
 
         input_file = Path(proc_dir, self.step.dice.outname + ".xy")
         with open(input_file, 'w') as f:
diff --git a/poetry.lock b/poetry.lock
new file mode 100644
index 0000000..88d56fe
--- /dev/null
+++ b/poetry.lock
@@ -0,0 +1,264 @@
+# This file is automatically @generated by Poetry 1.4.2 and should not be changed by hand.
+
+[[package]]
+name = "argparse"
+version = "1.4.0"
+description = "Python command-line parsing library"
+category = "main"
+optional = false
+python-versions = "*"
+files = [
+    {file = "argparse-1.4.0-py2.py3-none-any.whl", hash = "sha256:c31647edb69fd3d465a847ea3157d37bed1f95f19760b11a47aa91c04b666314"},
+    {file = "argparse-1.4.0.tar.gz", hash = "sha256:62b089a55be1d8949cd2bc7e0df0bddb9e028faefc8c32038cc84862aefdd6e4"},
+]
+
+[[package]]
+name = "coverage"
+version = "7.2.7"
+description = "Code coverage measurement for Python"
+category = "dev"
+optional = false
+python-versions = ">=3.7"
+files = [
+    {file = "coverage-7.2.7-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:d39b5b4f2a66ccae8b7263ac3c8170994b65266797fb96cbbfd3fb5b23921db8"},
+    {file = "coverage-7.2.7-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:6d040ef7c9859bb11dfeb056ff5b3872436e3b5e401817d87a31e1750b9ae2fb"},
+    {file = "coverage-7.2.7-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:ba90a9563ba44a72fda2e85302c3abc71c5589cea608ca16c22b9804262aaeb6"},
+    {file = "coverage-7.2.7-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:e7d9405291c6928619403db1d10bd07888888ec1abcbd9748fdaa971d7d661b2"},
+    {file = "coverage-7.2.7-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:31563e97dae5598556600466ad9beea39fb04e0229e61c12eaa206e0aa202063"},
+    {file = "coverage-7.2.7-cp310-cp310-musllinux_1_1_aarch64.whl", hash = "sha256:ebba1cd308ef115925421d3e6a586e655ca5a77b5bf41e02eb0e4562a111f2d1"},
+    {file = "coverage-7.2.7-cp310-cp310-musllinux_1_1_i686.whl", hash = "sha256:cb017fd1b2603ef59e374ba2063f593abe0fc45f2ad9abdde5b4d83bd922a353"},
+    {file = "coverage-7.2.7-cp310-cp310-musllinux_1_1_x86_64.whl", hash = "sha256:d62a5c7dad11015c66fbb9d881bc4caa5b12f16292f857842d9d1871595f4495"},
+    {file = "coverage-7.2.7-cp310-cp310-win32.whl", hash = "sha256:ee57190f24fba796e36bb6d3aa8a8783c643d8fa9760c89f7a98ab5455fbf818"},
+    {file = "coverage-7.2.7-cp310-cp310-win_amd64.whl", hash = "sha256:f75f7168ab25dd93110c8a8117a22450c19976afbc44234cbf71481094c1b850"},
+    {file = "coverage-7.2.7-cp311-cp311-macosx_10_9_x86_64.whl", hash = "sha256:06a9a2be0b5b576c3f18f1a241f0473575c4a26021b52b2a85263a00f034d51f"},
+    {file = "coverage-7.2.7-cp311-cp311-macosx_11_0_arm64.whl", hash = "sha256:5baa06420f837184130752b7c5ea0808762083bf3487b5038d68b012e5937dbe"},
+    {file = "coverage-7.2.7-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:fdec9e8cbf13a5bf63290fc6013d216a4c7232efb51548594ca3631a7f13c3a3"},
+    {file = "coverage-7.2.7-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:52edc1a60c0d34afa421c9c37078817b2e67a392cab17d97283b64c5833f427f"},
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+    {file = "coverage-7.2.7-cp311-cp311-musllinux_1_1_aarch64.whl", hash = "sha256:afb17f84d56068a7c29f5fa37bfd38d5aba69e3304af08ee94da8ed5b0865833"},
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+[metadata]
+lock-version = "2.0"
+python-versions = "^3.8"
+content-hash = "9d6162d0b954236bf441f7fdd3b4b56e47865eb3c11fbd37fda44c30042a68cb"
diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 0000000..b340753
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,22 @@
+[tool.poetry]
+name = "diceplayer"
+version = "0.0.1"
+description = ""
+authors = ["Vitor Hideyoshi <vitor.h.n.batista@gmail.com>", "Herbert Georg <hcgeorg@ufg.br>"]
+license = "GPL-2.0-only"
+readme = "README.md"
+
+[tool.poetry.dependencies]
+python = "^3.8"
+numpy = "^1.24.3"
+argparse = "^1.4.0"
+setproctitle = "^1.3.2"
+pyyaml = "^6.0"
+
+
+[tool.poetry.group.dev.dependencies]
+coverage = "^7.2.7"
+
+[build-system]
+requires = ["poetry-core"]
+build-backend = "poetry.core.masonry.api"