[gmx-users] how to create itps of a ploymer

吴显辉 nanyu101 at sina.com
Sun Nov 17 03:16:35 CET 2002

All gmx-users
    I am a novice of Gromacs. Now,my job is to study the dynamcis of a ion channel.This channel is composed of esters.How can I create its *.itp file?Should  I create a itp of monomer  or or all of ploymer?
  Second, I think the amino acids' rtps are made from the coordinates of Gly-X-Gly.Here X denotes the amino acid that we need to create its rtp file. If  I want to create a ester's itp,shoud I calculate the coordinates of ester-ester-ester.


nanyu101 at sina.com

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