Mercurial > repos > chemteam > packmol

comparison packmol.xml @ 1:ddb1ae2cf028 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit b1b74e91a242f2de250761a79b17d77e68b1045f"
author chemteam
date Fri, 30 Aug 2019 15:02:54 -0400
parents 0b8a0ce446f5
children 539fb45630e6
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0:0b8a0ce446f5 1:ddb1ae2cf028
1 <tool id="packmol" name="PACKMOL" version="18.169"> 1 <tool id="packmol" name="PACKMOL" version="18.169">
2 <description>Initial configurations for Molecular Dynamics Simulations by packing optimization</description> 2 <description>Initial configurations for Molecular Dynamics simulations by packing optimization</description>
3 <macros> 3 <macros>
4 <import>macros_packmol.xml</import> 4 <import>macros_packmol.xml</import>
5 </macros> 5 </macros>
6 <requirements> 6 <requirements>
7 <requirement type="package" version="18.169">packmol</requirement> 7 <requirement type="package" version="18.169">packmol</requirement>