Hi,
When g_disre reports restraint violations in the *.log file, what do the
restraint numbers correspond to?
If I have say 5 restraints in index groups 0 1 2 2 3 and g_disre reports
a violation on restraint 3 is is talking about index group 3 or the
third restraint in the file - in this case index # 2?
Cheers,
Bruce
--
"Hamewith - the road that's never dreary"
Dr. Bruce F. Milne MRSC
CEQOFFUP
Faculdade de Farmácia
Universidade do Porto
Rua Aníbal Cunha - 164
4050-047
Porto
Portugal
email: [EMAIL PROTECTED]
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
