[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
____________________________________________________________________________



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