[gmx-users] problems with reaction field

[Anton Feenstra]

David wrote:
> On Fri, 2003-09-19 at 17:37, hugo verli wrote:
> 
>>Hi to all,
>>og              =  100
>>
>>>nstenergy           =  100
>>>nstlist             =  10
>>>ns_type             =  grid
>>>coulombtype         =  Generalized-Reaction-Field
>>>rlist               =  0.9
> 
> 
> Please use normal Reaction-Field instead of generalized.

Also, I noticed you use separate t-coupling for solvent, ions,
protein and ligand, which I could guess may give artefacts in
combination with cut-offs?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
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|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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