All the directives are correct. Chris just mistyped saying
[ molecules ]
CIP 3
instead of
[ moleculetype ]
CIP 3
that I orginally send him.
Not true. I meant exactly what I typed. I am referring to the section
that occurs at the end of your .top file:
It sometimes looks like this:
[ molecules ]
; name number
Protein 1
SOL 9158
--
gmx-users mailing list [email protected]
http://lists.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
