[gmx-users] Drude force field

[Justin Lemkul]

On 10/28/16 1:39 PM, Xianchi Dong wrote:
> Dear all,
> Does anyone have a detailed protocol to install Drude polarized force field on Gromacs?
>

There's nothing special about installation or use:

http://mackerell.umaryland.edu/charmm_drude_ff.shtml

Be aware that runs using domain decomposition may crash due to an as-yet 
unresolved bug.  I'm working on it, but it's below certain other priorities at 
the moment.  OpenMP runs are fine.

-Justin

-- 
==================================================

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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