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

[Justin Lemkul]

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 
parameters?

-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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