Re: [AMBER] PM6 in Amber 11

From: case <>
Date: Fri, 23 Jul 2010 15:25:46 -0400

On Fri, Jul 23, 2010, Zora Strelcova wrote:
> Such calculation ends with error message:
> "SANDER BOMB in subroutine read_qmmm_namelist
> PM6 not currently supported in sander.
> (qm_theory = 'PM6')"

Jason's reply is not unreasonable, but it doesn't look like he actually tried
anything. In this case, you have to trust what the code says more than what
the Users' Manual says: "PM6 [is] not currently supported in sander".

You *can* use sqm to run PM6 calculations; see examples in


AMBER mailing list
Received on Fri Jul 23 2010 - 12:30:03 PDT
Custom Search