[gmx-users] Justin protein-ligand complex...

[rama david]

On Sat, Apr 14, 2012 at 6:12 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
>
>> Hi Justin,

      Thank you for reply..
>>
>>
>>
>> My query is ..Why Pressure Coupling is off  in  production MD run ???
>>
>
> Pressure coupling is on, hence:
>
> pcoupl      = Parrinello-Rahman
>

That  means sentence

; Pressure coupling is off

 Is not valide when user write...(Specify the coupling parameter in
     front of option)

pcoupl      = Parrinello-Rahman




Thank you
With Best Wishes,
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