VMD-L Mailing List

From: ehsan zahedinejad (ehsanzahedinejad_at_gmail.com)
Date: Fri Nov 30 2012 - 00:23:42 CST

Dear VMD users,

I used VMD force field tool kit to develop ff for one monomer. To make a
long chain of polymer I planned to find dihedral of connected bonds between
monomers using Opt. torsion option of fftk without re-optimizing those
dihedral that I already developed for monomers. Is there any way to use
fftk to handle this problem. Should I just take out all those dihedrals
parameters that I don't want to optimize from optimization procedure.

I appreciate your responses.
Cheers,
Ehsan.