[gmx-users] pdb2gmx error

[Justin Lemkul]

On 4/5/16 6:47 AM, ABEL Stephane 175950 wrote:
> Hello,
>
> When i use pdb2gmx (v.504) and 12 AA long peptide with the Amber99SB-ILDN force field, I have the error :
> Fatal error:
> tpA = 53191, i= 0 in print_atoms
>
> I have no idea what does this message mean. Could you help me?
>

This shouldn't happen.  Have you or anyone else modified the code or force field 
files?  That's the only instance in which this would be triggered.

-Justin

-- 
==================================================

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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