[gmx-users] How it possible find detail way for start preparing INPUT files for simulation of Hypoxanthine (aq) solution by Gromacs

Mohammad Hossein Kowsari mhkowsari2010 at gmail.com
Fri Aug 10 13:14:19 CEST 2012

Dear Gromacs workers,

I will decide simulate the system of Hypoxanthine (which is rather similar to
Guanine) in water solvent.

as you know, for this molecule, the force field parameter is not defined in
Gromacs database. at this time, people advice contracting of *.itp file
for new molecule. but How it is possible? How I can prepare input files for
Hypoxanthine molecule or any other new molecules in Gromacs package?

 Best Regards,

 M. H. Kowsari


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