Hi Raja,
an entry for a molecule in the rtp database you have to create on your
own - the principles how to "explain" your ligand to Gromacs is simple,
just take a look onto the aminoacids in there and how they are
described. Will take you some time (roughly some days probably), but it
will work. An other possibility would be to write an *.itp file
especially for your ligand, which I find a better solution. This is
described in the manual. Some kind of simple topology creater is the
PRODRG Server () - there you can create a topology for your ligand.
Bye
Steffen
--
Dipl.-Chem. Steffen Wolf
Department of Biophysics
University of Bochum
ND 04/67
44780 Bochum
Germany
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