[gmx-users] g_saltbr
Bert de Groot
bgroot at gwdg.de
Wed Dec 5 11:14:55 CET 2001
Hi all,
I noticed that when using g_saltbr -sep, one file is written
per interaction on a RESIDUE basis (and not per charged GROUP).
When a residue has more than one charge, all files are generated,
but overwritten, like for this terminal glu residue:
Back Off! I just backed up sb-GLU2:GLU2.xvg to #sb-GLU2:GLU2.xvg#
Back Off! I just backed up sb-GLU2:GLU2.xvg to #sb-GLU2:GLU2.xvg#
Back Off! I just backed up sb-GLU2:GLU2.xvg to #sb-GLU2:GLU2.xvg#
I would be grateful for a solution,
Bert
____________________________________________________________________________
Dr. Bert de Groot
Max Planck Institute for Biophysical Chemistry
Theoretical molecular biophysics group
Am Fassberg 11
37077 Goettingen, Germany
tel: +49-551-2011306, fax: +49-551-2011089
email: bgroot at gwdg.de
http://www.mpibpc.gwdg.de/abteilungen/071/bgroot
____________________________________________________________________________
More information about the gromacs.org_gmx-users
mailing list