[gmx-users] Fatal error: Residue 'GTP' not found in residue topology, database"
jalemkul at vt.edu
Fri Aug 28 14:24:53 CEST 2015
Please heed this:
>> When replying, please edit your Subject line so it is more specific
>> than "Re: Contents of gromacs.org_gmx-users digest..."
...and don't reply to the entire digest.
On 8/28/15 2:01 AM, Raag Saluja wrote:
> Yes,I did, Mark. Thanks! But I don't need GTP. The pdb file just shows a
> GTP-binding site. So, how do I proceed?
If GTP isn't relevant to your study, remove it from the coordinate file before
passing it to pdb2gmx.
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
More information about the gromacs.org_gmx-users