Fwd: [gmx-users] gromos96 parameters

[S. W. Chiu]

Pedro:
You may want to check with the following references:
1. Chandrasekhar, I. et al. Eur. Biophys. J. (2003),32:67-77.
2. Schuler LD, et al. J. Comput. Chem., (2001), 22:1205-1218.

The latter has table list the (45A3) 1-4 LJ parameters for Ch2/CH3. 
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> >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
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> ---------------------------------
> Eric Jakobsson, Ph.D.
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-- 
See-Wing Chiu
4027 Beckman Institute
MC-251
405 N. Mathews
Urbana, IL 61801

Phone: 244-5818
Email: schiu at ncsa.uiuc.edu