[gmx-users] What analysis do I need?

Justin Lemkul jalemkul at vt.edu
Sat Jul 5 12:46:16 CEST 2014

On 7/5/14, 6:18 AM, Batdorj Batsaikhan wrote:
> Dear all,
> I am new user, and I want to analyze conformation change of protein using MD. If you do not mind give me advice.
> What analysis do I need?

That depends on what you define as "conformational change" - is it on the 
secondary or tertiary level?

> How to use do_dssp?

Install the DSSP program, then read the manual.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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


More information about the gromacs.org_gmx-users mailing list