AMBER Archive (2009)

Subject: Re: [AMBER] antechamber bug: output of incorrect bond character

From: case (case_at_biomaps.rutgers.edu)
Date: Thu Sep 03 2009 - 11:29:03 CDT


On Thu, Sep 03, 2009, Matthew Walsh wrote:
>
> The bonds in question are S1-O2 and S1-O3
>
> 35 21 20 1
> 36 22 20 1
>
> AmberTools 1.0 was compiled with g95 on Red Hat EL5

I get "2" for those bond orders. This sounds like it is related to bugfix.11.
See if that makes a difference.

...dac

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber