[gmx-users] Hydrazine force field

squarta 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
types (atomtype.atp).

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. 

View this message in context: http://gromacs.5086.n6.nabble.com/Hydrazine-force-field-tp5002313.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-users mailing list