[gmx-developers] Residue renaming

[Alexey Shvetsov]

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