From: Alberto Sergio Garay (
Date: Fri Jun 26 2009 - 15:01:35 CDT

Dear Olaf

Thank you for your detailed explanation. What you told me works fine.
I also want to ask you if there is any way to come back to my starting
coordinates system after it has been wrapped, using pbctools. Or do I
have to reload my trajectory again if I need to run the calculation on
other residue?


Dr. Sergio Garay
Facultad de Bioquimica y Cs. Biológicas
Universidad Nacional del Litoral
Santa Fe - Argentina
C.C. 242 - Ciudad Universitaria - C.P. S3000ZAA
Ph. +54 (342) 4575-213
Fax. +54 (342) 4575-221