On Thu, Sep 23, 2010, Philippe Pinard wrote:
>
> I wonder if I can use 10-12 hbond terms with amber9 together with nonbond
> interactions in the same .frcmod file?
I don't think(?) the frcmod file supports using 10-12 terms. The safest thing
would be to modify the parm.dat file itself if you need to make such changes.
Make sure you compile the codes with the -DHAS_10_12 flag; otherwise the code
will assume that all such terms are zero.
...good luck...dac
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Received on Fri Sep 24 2010 - 06:30:08 PDT
