[gmx-developers] Residue renaming

Alexey Shvetsov alexxyum at gmail.com
Wed Aug 25 12:18:12 CEST 2010

Hi all!

Seems pdb2gmx started renaming HIS residues to HISE HISD and HISH. So
in latest build with amberff  i started getting this

Program pdb2gmx, VERSION 4.5-beta3-20100825-ea694aa-dirty
Source code file: ../../../gromacs-4.5.9999/src/kernel/resall.c, line: 552

Fatal error:
Residue 'HISE' not found in residue topology database
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

PS it is simple test with speptide from gromacs dir
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru

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