[gmx-users] User defined potential functions.

[Anton Feenstra]

Omololu Akin-Ojo wrote:
> Hi All,
> 
> i would like to use a different set of potenital
> functions. The functions are *not* Lennard Jones type
> or any of the 6-n potentials but they have damped
> long-range for example, -C6*d(b*r)/r^6, where the
> damping parameter (b) is different for different atom
> pairs. 
> 
> I have read the relevant section of the manual and it
> only allows for different coefficients (C6 or C12 or
> ...) but does not treat a case like this. Is there any
> way i could handle my case?

Yes, if you don't need the L-J potential (at all), you can use the 'user 
  tables' option. Search the manual and/or maillist for instructions.


-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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