Hi Yun,
You can use an exclamation mark. E.g.
foo
&cntrl
imin=1, ! Do minimization
cut = 8.0, ! Use 8 angstrom cutoff
/
All the best
Ross
> -----Original Message-----
> From: Yun Shi [mailto:yunshi09.gmail.com]
> Sent: Wednesday, August 17, 2011 8:59 AM
> To: AMBER.ambermd.org
> Subject: [AMBER] comments format within .mdin files
>
> Hi all,
>
> Could anyone tell me the right format to add comments in .mdin files? I
> saw
> parentheses were used in the Amber11 manual, but this format did not
> work
> for me as it induced error in reading &cntrl namelist.
>
> Thanks,
>
> Yun
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Received on Wed Aug 17 2011 - 10:00:04 PDT
