[gmx-users] Hydrazine force field
squarta1 at binghamton.edu
Mon Oct 22 18:51:42 CEST 2012
I am currently working towards developing a molecular dynamics study of the
hydrodynamics between a hydrazine containing ligand and a protein
The OPLS/AA force field provides the bonded parameters of hydrazine: bond
lengths, angles, dihedrals and the respective force constants,(from
ffbonded.itp), but does not seem to list hydrazine under the available atom
To create a hydrazine atom type force field, it seems I require a charge
parameter (q), and the corresponding nonbonded parameters: sigma and
I have checked the available literature and contacted a few researchers on
the subject but without any luck.
Before I pursue developing hydrazine parameters, I was wondering if anyone
knew of OPLS/AA hydrazine (or aliphatic hydrazine derivative) force field
parameters that could be released to me.
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