[gmx-users] DPOSRES and energy minimization

[Justin Lemkul]

On 11/4/13 1:31 AM, Gianluca Interlandi wrote:
> Is there a way to tell from the log file whether positional restraints are
> really activated or not?
>

Yes, there is a position restraint energy term written to the .log and .edr 
files if the restraints are active.

-Justin

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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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