[gmx-users] how to add topology for a new residue

Mr.Sridhar sridhar at www.cdfd.org.in
Fri Apr 25 11:01:01 CEST 2003

I have a problem in running MD of a protein which has
PHORBOL-13-ACETATE as a bound ligand. I got a gromacs topology file from
PRODRG server. But I don't know how to include this topology file in Gromacs
and run MD.
I've added the line #include "PRB.itp"
in the main gromacs forcefield file "ffgmx.itp" but it is not working.

I'll be happy if anybody can find the procedure for this.



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