[gmx-users] Unstable system [was: (no subject)]

Justin Lemkul jalemkul at vt.edu
Wed Oct 15 13:35:36 CEST 2014

Please remember to use a sensible subject line.

On 10/15/14 6:53 AM, Padmani Sandhu wrote:
> Hello
> I have energy minimized the complex successfully and I dont understand
> whats wrong with the system.

What were Epot and Fmax from minimization?  Please copy and paste the actual 
output.  What force field are you using?  What is the source of your ligand 



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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