annotate test-data/posres.itp @ 8:3c77d66e7fe5 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 03127e495a0a1a022928c1a03527974c9e81b5a1"
author chemteam
date Tue, 21 Jan 2020 07:34:58 -0500
parents 77aaf9a68166
children 27ea4e1a3f95
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1 ; In this topology include file, you will find position restraint
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2 ; entries for all the heavy atoms in your original pdb file.
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3 ; This means that all the protons which were added by pdb2gmx are
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4 ; not restrained.
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6 [ position_restraints ]
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7 ; atom type fx fy fz
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