[gmx-users] DispErsion correction

Dallas Warren dallas.warren at monash.edu
Wed Nov 7 23:06:56 CET 2018

Paper explaining dispersion correct, and what it is:


Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
When the only tool you own is a hammer, every problem begins to resemble a nail.

On Thu, 8 Nov 2018 at 04:51, Farial Tavakoli <faryal.tavakoli at gmail.com> wrote:
> 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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