[gmx-users] NMR restrained MD

[Justin Lemkul]

On 9/10/13 6:10 PM, Rama Krishna Koppisetti wrote:
> Hi,
>
> How to convert normal dihedrals   to so-called Ryckaert-Bellemans
> potential dihedrals. Is there any script available for that.
>

Periodic dihedrals and R-B dihedrals have different functional forms.  See the 
manual.

-Justin

-- 
==================================================

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

==================================================