Dear Justin:
Thank you for reply. g_x2top worked correct as you suggested when I added
"-nopbc" option.
I have other questions about graphite simulation. The top/rtp file(opls-aa)
generated by g_x2top missed improper dihedral term ,
to keep a carbon in plane, whether it is better to add the missing terms in
topology file or need other corrections ?
Thank you in advance!
sincerely zhhxu
PhD student
Department of Biochemical Engineering
Institute of Process Engineering
Chinese Academy of Sciences
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
