The separation of groups for temperature control is originally
necessary to avoid (or correct for) temperature gradient in the
system, which occurs when systems parts have different frequencies of
motions. Typically the water molecules and a protein would be
separated to avoid the freezin
On Thu, May 3, 2012 at 5:17 PM, Weingarth, M.H. wrote:
> Hello,
>
> I am a bit confused by a comment which I find in all MARTINI example
> md.mdp scripts concerning the tc-groups :
>
> It is stated there to couple groups separately:
>
> << MARTINI -Normal temperature and pressure coupling scheme
Hello,
I am a bit confused by a comment which I find in all MARTINI example md.mdp
scripts concerning the tc-groups :
It is stated there to couple groups separately:
<< MARTINI -Normal temperature and pressure coupling schemes can be used. It
; is recommended to couple individual groups in your
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