[gmx-users] .mdp parameters source codes

[Justin Lemkul]

On 6/13/15 2:47 PM, mah maz wrote:
> dear all,
> I really need to know where i can find files that are written in C format
> for .mdp parameters like thermostat, cutoffs and electric fields. I
> searched in the source files and couldnt find anything. can anyone help me?

Electric field functions are in mdlib/sim_util.c (you can get this by grepping 
for "field").  Thermostat functions are in mdlib/coupling.c.  Code for reading 
parameters from .mdp files are primarily in gmxpreprocess/readir.c.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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