> NTYPES is 8 (number of atom types)
...
>
> My macromelcule parameters were created with antechamber.
> Two points seem strange here:
> 1) the (number of atom types) rdparm says it is 8 although i know that there are
> 10!
Does the "printtypes" command show parameters for 10 different types?
> 2) NHB is 0 , does this mean that there are no H bond parameters available
> for the molecule?
Most of the force fields since very early ones do not contain explicit
"extra" hydrogen bonding potentials (i.e. 10-12) instead using
electrostatics and standard vdw to represent the h-bond.
--tec3
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Aug 02 2010 - 16:30:04 PDT
