On Sat, Apr 14, 2012 at 6:12 PM, Justin A. Lemkul <[email protected]> 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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