[gmx-users] vanadium non-bonded parameters

Gonçalo C. Justino goncalo.justino at gmail.com
Fri Sep 24 21:21:02 CEST 2010

Dear gmx'ers,

Does anyone know of any (published or not) non-bonded parameters for
vanadium species for any of the forcefields implemented in GROMACS ?

If not, my question is: what is the meaning of the null values for
sigma and epsilon in, e.g., amber03, for Fe:

FE          26      55.00    0.0000  A   0.00000e+00  0.00000e+00
[from the ffnonbonded.itp file]

Thks for any help,

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