Thank you for the template script to calculate vdW energies of interacting
pairs of atoms from a given PDB file.
I'll try to extend it to calculate other energies such as hydrogen bond energy
etc.,
Are there ways to use different forcefields for the same calculations ?
On Thursday, April 17
Hello Nahsivar--
> Thank you for the template script to calculate vdW energies of interacting
> pairs of atoms from a given PDB file.
> I'll try to extend it to calculate other energies such as hydrogen bond
> energy etc.,
> Are there ways to use different forcefields for the same calculations ?
