[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,
Gonçalo
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