[gmx-users] NMR restrained MD

[Justin Lemkul]

On 9/11/13 9:05 AM, Rama Krishna Koppisetti wrote:
> Hi Justin,
>
> Should I use R-B dihedrals for DMPC lipids rather  than periodic
> dihedrals.
>

You should use whatever the force field tells you.

> I'm getting an Error message like,
>
> ERROR 18815 [file topol.top, line 54180]:
>    No default Ryckaert-Bell. types
>
>
> ERROR 18816 [file topol.top, line 54181]:
>    No default Ryckaert-Bell. types
>

What are the dihedrals on these lines?

-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

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