[gmx-users] gromos96 parameters

[Pedro Alexandre Lapido Loureiro]

Hi,

gromacs uses an explicit table (in ff*nb.itp) for the 1-4 interactions.
There have been updates in gromos96 forcefield for alkanes (45a3).
My problem: I am not able to update such table as long as I don't know the
special 1-4 C6 and C12 parameters for the various atom types.
Could anybody help me?

Regards.


Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil