[gmx-users] NMR restrained MD
mark.j.abraham at gmail.com
Sun Sep 8 17:48:41 CEST 2013
... and probably the use of grompp -maxwarn 5 is hiding problems that
you should be fixing first!
On Sun, Sep 8, 2013 at 1:03 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 9/7/13 6:55 PM, Rama Krishna Koppisetti wrote:
>> Hi Justin,
>> If you are willing to see my complex pdb file or complex .gro file and
>> topology files, I'll send you for the reference.
> At present, I do not have the time to spare trying to work this out myself.
> The manual has all the detail you need, and the format of .rtp entries is
> very straightforward.
> Justin A. Lemkul, Ph.D.
> Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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