[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
More information about the gromacs.org_gmx-users
mailing list