Dear Paer,
Thank you very much for your reply.
MTSSL is not a peptide, but it was parameterized by some
other group and we are trying to use the parameters. They have
used CMAP for MTSSL. So we also want to
take into account the CMAP in our gromacs calculations.
I am not much familiar with git repo. It will be very kind of you
if you send us a copy of gromacs 4.1 and CHARMM27 ff file
with CMAP in gromacs format, so that we can include this
ff also in our database.
Thanking you.
Sudip
--
**********************************************************************************************
Dr. Sudip Roy
Physical Chemistry and Material Science Division
Scientist C
National Chemical Laboratory
Pune 411008
India
Tel. +91 2590 2735 Office
Email s....@ncl.res.in
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