[gmx-users] DispErsion correction

Farial Tavakoli faryal.tavakoli at gmail.com
Wed Nov 7 18:51:11 CET 2018


Dear gmx users

I am trying to simulate my complex using amber99sb ff. There is no amber
tutorial in gromacs. I need to know how dispersion correction set in the
.mdp files . I can not understand the definitions of DispCorr in mdp
option. Should I put it on EnerPres or no ?
Would you please clarify me and explain it in short?

Thanks in advance
Farial


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