AMBER Archive (2003)

Subject: Re: AMBER: MeCNBOX & EWALD bomb

From: David A. Case (case_at_scripps.edu)
Date: Tue Oct 14 2003 - 17:12:42 CDT


On Sat, Oct 11, 2003, northrop_at_chem.ucla.edu wrote:
>
> I have posted about this problem before and I really appreciate all the help
> I've gotten, but I still
> can't get a constant pressure dymanics simulation to run in an acetonitrile
> solvent.

I think we will need to get your actual input files, so that Mike Crowley
or others can try to reproduce the problem.

..dac

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ================================================================== ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu