On Wed, Dec 12, 2012, Amparo Garcia Lopez wrote:
>
> Cannot match namelist object name scee
> namelist read: misplaced = sign
> Cannot match namelist object name .2
>
> However, because of my inexperience, I'm not sure whether this means
> that I can simply remove scee from my script, or whether I have to
> replace it with something else.
If you want scee do have its default value of 1.2, you simply remove it from
your script. If you want/need a different value, you will need to regenerate
the prmtop file, since values for scee (which can now be different for
different torsions) are now stored there.
...good luck...dac
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Received on Wed Dec 12 2012 - 05:30:03 PST
