[gmx-users] all-bonds option
serdar durdagi
durdagis at yahoo.de
Fri Aug 15 20:04:34 CEST 2008
Dear all,
I am using "all-bonds" option in order to fix all bond lengths in the system.
However, during the energy minimization, a single C-C bond between two segments of drug changes from 1.53 to 1.80. This is the first time I faced with this kind of problem.
How can I fix it, is anybody has an idea?
Serdar
__________________________________________________
Do You Yahoo!?
Sie sind Spam leid? Yahoo! Mail verfügt über einen herausragenden Schutz gegen Massenmails.
http://mail.yahoo.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080815/9ade48e6/attachment.html>
More information about the gromacs.org_gmx-users
mailing list