[gmx-users] (no subject)

[Justin Lemkul]

On 6/27/17 8:11 PM, Shivangi Agarwal wrote:
> Dear all gromacs users
> 
> i have to define a new residue, i have added it in *residuetype.dat* file.
> but still getting error: "residue type not found".
> Kindly suggest
> 

Follow all steps here:

http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field

If you're still having problems, please provide a full description of what you 
did as well as the full error message reported by pdb2gmx.

-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

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