Quoting taufik.alsarraj.utoronto.ca:
> Yes xleap crashes. output has one line in the atoms only
> .<TRIPOS>MOLECULE
> DMSO
> 10 9 1 0 1
> SMALL
> USER_CHARGES
> .<TRIPOS>ATOM
> 1 C1 1.352237 -0.856933 0.225852 C 1 DMSO
> -0.2897 *
> ***
>
> --that is the end of tripos2.mol2
Thanks. May I ask you the operating system & machine on which Amber10
is installed ?
regards, Francois
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Received on Sun Aug 31 2008 - 06:08:07 PDT
