[gmx-users] nstcomm nstcalcenergy defeats the purpose of nstcalcenergy

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jan 25 22:57:41 CET 2011


On 26/01/2011 8:10 AM, ahmet yıldırım wrote:
> Dear users,
>
> How can I fixed the NOTE the following? Will this note/warning cause a 
> problem in the calculations?What is the meaning of this note?
>
> NOTE 1 [file pr.mdp]:
>   nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting
>   nstcomm to nstcalcenergy

Did you look these definitions up in the manual before firing off an 
email? :-)

Mark



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