[gmx-users] Different Residues...

[Justin Lemkul]

On 11/4/13 3:16 AM, Ramon Valencia wrote:
> Hello Dear GROMACS users,
>
>
> I trying to do a MD calculation using GROMACS, but when I running pdb2gmx I
> get the following error:
>
> Fatal error:
> Residue '' not found in residue topology database
>
> I'm a beginner GROMACS user, but I want to know exactly, how add my
> residues to GROMACS step by step?. My residues contain S.
>

The fact that pdb2gmx is finding a blank residue indicates that your input file 
format is badly broken.

-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
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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