[gmx-users] (no subject)

[Justin Lemkul]

On 3/6/14, 1:04 AM, Prajisha Sujaya wrote:
> i am gettng error while doing simulation of Trna molecule i have used
> gromacs and force field CHARMM27 all-atom force field (with CMAP) - version
> 2.0
>
> "Residue 'ADE' not found in residue topology database". How to solve this
> error
>

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

Use correct residue names - DA, DT, etc for DNA and RA, RU, etc for RNA.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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
http://mackerell.umaryland.edu/~jalemkul

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