dinadusti at yahoo.com
Thu Mar 8 20:34:38 CET 2012
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.
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