On Mon, Aug 31, 2009, Matthew Walsh wrote:
>
> Antechamber produces an incorrect sulfur atom type with the "-at
> sybyl" option. The sybyl atom type ought to be 'S.3', but a lower case
> 's' is produced instead ('s.3').
Thanks for the report. I think this should be fixed by editing line 43
of $AMBERHOME/dat/antechamber/ATOMTYPE_SYBYL.DEF. We will get this fix into
the next release.
...regards...dac
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Received on Wed Sep 02 2009 - 23:06:50 PDT
