AMBER Archive (2002)

Subject: Re: mopac

From: Pascal Bonnet (pascal.bonnet_at_man.ac.uk)
Date: Fri Jun 28 2002 - 03:49:11 CDT


Hi,

> >
> > I have tried changing path to our tripos and Accelrys mopac dirs with no
> > affect (fails antechamber test).
>
> I can't tell much for this description (just "fails the test" is not very
> helpful). Many mopac's that I have tried perform poorly, but one assumes that
> Tripos or Accelrys are providing good versions, and (if they have compatible
> inputs) it should certainly possible to use them.

I tried to use MOPAC from SYBYL but it didn't finish correctly. Finally,
I downloaded a free version from:
http://comp.chem.umn.edu/mopac/ after filling the "site license
agreement". Now, it finish correctly....

Cheers.
pb

-- 

*************************************************** Dr. Pascal Bonnet School of Pharmacy and Pharmaceutical Sciences, University of Manchester, Oxford Road, Manchester, M13 9PL, U.K Tel:(+44) (0)161 275 2431