Dear Gromacs Specialists,
May I ask you to help me for definition of pyrrole, tiofen and aniline in
MARTINI coarse-grained force field, Please?
I defined them as following:
aniline (one benzene ring+NH2) = SC4, SC4, SNd
pyrrole (one aromatic ring consists of 4 carbon and one NH) = SC4, SP1
tiofen (one aromatic ring consists of 4 carbon and one S) = ???
May I ask you to tell me your idea about these molecules, Please?
Thank you in advance.
Best Regards
Dina
--
gmx-users mailing list gmx-users@gromacs.org
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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
