[gmx-users] force field problem....

[Justin Lemkul]

On 4/16/15 3:41 PM, Kamalesh Roy wrote:
> Hi Justin
> Thank you, for the help....I have made topology from PRODRG server and then
> manually edited
> as required...but the column gromos type is unknown unlike other molecule
> in the ff..
> Where do I get this?
>

You'll have to tell us what the molecule is and provide the text of the 
topology, as well as any relevant error message(s).  Otherwise, the only answer 
anyone can give you is "you messed something up," which is not terribly helpful :)

-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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