[gmx-users] Drude force field

[Xianchi Dong]

Thanks for your reply.
Do I need to copy the ff file to any folder?

Best,
Xianchi

> On Oct 28, 2016, at 1:56 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 
> 
> 
>> 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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