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 

-- 

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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
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