[gmx-users] Md simulation error

[Justin Lemkul]

On 11/8/16 2:07 PM, maria khan wrote:
> Dear justin lemkul,,
> Thanks alot..i like the way u answer my stupid questions..actually i dont
> have anyone to guide me except u.thats why i ask even stupid questions.dont
> mind please.i want to work under your supervision because i have passion
> for simulation on gromacs.
> Now coming to the point,,my problem was concerned with his residue of atom
> HD1.I just went to pdb file and rename that HD1 to H3.then two files formed
> that are  " "posre _protein chain_A.itp  and  topol_protein_chain _A.itp""
> .while  topol.top   remained empty.now it gives me another error that is
> " " Residue 'IS A' not found in residue topology database"".

http://www.gromacs.org/Documentation/Errors#Residue_'XXX'_not_found_in_residue_topology_database

-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

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