AMBER Archive (2004)

Subject: Re: AMBER: mm_pbsa problem

From: David A. Case (case_at_scripps.edu)
Date: Fri Jul 02 2004 - 09:52:46 CDT


On Fri, Jul 02, 2004, steven.j.enoch_at_gsk.com wrote:

> PB Bomb in setgrd(): focusing grid too large 2
> reset fillratio to a larger number 2.000

This is covered in the "updates to the manual section":

    http://amber.scripps.edu/doc8/errata.html

Basically, you just do what the error message states: change fillratio to
a larger value, say 4.0

...good luck...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