[gmx-users] pdb2gmx error
jalemkul at vt.edu
Mon Jul 27 02:19:01 CEST 2015
On 7/26/15 6:46 AM, faride badalkhani wrote:
> Dear all,
> could anybody help me at this error?
> Fatal error:
> atom N not found in buiding block 1AMC while combining tdb and rtp
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
Use -ter and select appropriately (probably "None" in the case of a polymer,
provided you're following
http://www.gromacs.org/Documentation/How-tos/Polymers). If you don't specify
terminal patching, pdb2gmx defaults to assuming you want protein-like N- and
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
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