[gmx-users] DispErsion correction

[Dallas Warren]

Paper explaining dispersion correct, and what it is:

http://dx.doi.org/10.1021/jp0735987

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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