[gmx-users] restraint one part of protein
phanvy120690 at gmail.com
Tue May 26 17:11:32 CEST 2015
thank you so much Justin
2015-05-26 20:40 GMT+09:00 Justin Lemkul <jalemkul at vt.edu>:
> On 5/26/15 6:58 AM, Vy Phan wrote:
>> Dear All,
>> I got the pdb file from protein Data Bank with some missing loop. I use
>> swissmodel to add the missing loop. In energy minimization step, I want to
>> relax these loops and restraint the crystal structure. How can I generate
>> the restraint file?
>> Could someone help for this jobs?
> genrestr with a suitable index group.
> 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
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