[gmx-users] swissparm .itp problems

soumadwip ghosh soumadwipghosh at gmail.com
Mon Sep 28 06:15:16 CEST 2015

    You should cut+paste the [ atomtypes ] and the [ pairtypes ] in a new
atomtypes_ligand.itp file so that your ligand.itp starts from the directive
[ moleculetype ]. Now, add the atomtypes_ligand.itp in your topology file
before the ; Include chain topologies part.

Hope this helps


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