[gmx-users] Need for REMD equil.mdp and sim.mdp files

[Justin Lemkul]

On 5/5/16 7:56 AM, Pabitra Mohan wrote:
> Dear Gromacs users,
> Can some one provide me the sample equil.mdp and sim.mdp files as I wana
> run REMD of a peptide with 144 residues.
>

Tutorials exist, you just need to use Google...

http://www.gromacs.org/Documentation/Tutorials/GROMACS_USA_Workshop_and_Conference_2013/An_introduction_to_replica_exchange_simulations%3a_Mark_Abraham%2c_Session_1B

-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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