On 10/3/17 1:51 PM, farial tavakoli wrote:
blockquote, div.yahoo_quoted { margin-left: 0 !important; border-left:1px
#715FFA solid !important; padding-left:1ex !important; background-color:white
!important; } Because in tuturial , energygroups = protein JZ4So I think ,I
have to seperate my ligand and Protein in .mdp files and determine H bonds?
It has nothing to do with the .mdp file. If you want to analyze hydrogen bonds,
then you can create an .ndx file later for use with gmx hbond.
-Justin
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Justin A. Lemkul, Ph.D.
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