On Sun, Sep 09, 2012, H. Chen wrote:
>
> I tried to use ff12SB force field to run amber tutorial A3 in amber10.
> Everything is fine, however, when I used mm_pbsa.pl from Amber 10 to do
> decomposition.
> （command line: $AMBERHOME/bin/mm_pbsa.pl decomp.in > decomp.log 2>&1）
> I see an error as the following.
>
> bad atom type: 2C
The newer force fields have extra atom types, and it looks like these were
not anticipated by sander in Amber10. I don't know of any simple way to
handle this, short of an upgrade.
...dac
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Received on Sun Sep 09 2012 - 15:00:03 PDT
