AMBER Archive (2009)

Subject: Re: [AMBER] antechamber bug report

From: case (case_at_biomaps.rutgers.edu)
Date: Mon Aug 31 2009 - 12:36:33 CDT

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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