Hi,
I find that in the ffnonbonded.itp under OPLS forcefield ( inside opls.ff
directory), for each particle-type, there is a partial charge assigned to it.
However, again in the .rtp file, for each residue, under each charge group,
each of the atom is assigned
another partial charge assigned
Sanku M wrote:
Hi,
I find that in the ffnonbonded.itp under OPLS forcefield ( inside
opls.ff directory), for each particle-type, there is a partial charge
assigned to it. However, again in the .rtp file, for each residue, under
each charge group, each of the atom is assigned
another
2 matches
Mail list logo