[gmx-users] (no subject)

[Justin Lemkul]

On 9/30/13 5:19 AM, suhani nagpal wrote:
> Greetings
>
> I have a large protein of 303 residues and one of the lysine is acetylated
> in the same.
>
> The forcefield selection according to the options says as follows:
>
> Residue 'ALY' not found in residue topology database
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
> How to work and get a gro file for the pdb.
>

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

-Justin

-- 
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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

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