[gmx-users] gromos96 parameters

Pedro Alexandre Lapido Loureiro paloureiro at biof.ufrj.br
Sat May 24 19:50:02 CEST 2003


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?


Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica

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