[gmx-users] vanadium non-bonded parameters

[Dallas Warren]

See Manual, 5.3.3

Catch ya,

Dr. Dallas Warren
Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu
+61 3 9909 9304
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail. 


> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of Gonçalo C. Justino
> Sent: Saturday, 25 September 2010 5:21 AM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] vanadium non-bonded parameters
> 
> 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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