AMBER Archive (2008)

Subject: Re: AMBER: xleap fails to savemol2

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Sat Aug 30 2008 - 01:58:21 CDT

Quoting taufik.alsarraj_at_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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