[gmx-users] Atom type SDMSO not found

[Justin Lemkul]

On 7/29/15 12:48 AM, su wrote:
> Hello everyone
> I am doing protein-ligand simulation according to Justin's tutorial. After running gmx grompp command, i encountered following error:
> Fatal error:
> Atomtype SDMSO not found.
> Is this the force field matching problem? because i am not able to find out any such atom types in any of the generated files.
> Please guide me where the problem is. All other commands ran properly.
>

Some GROMOS force fields use SDMSO, others use SDmso, so it's probably just a 
capitalization issue depending on which parameter set you're using.

-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 629
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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