AMBER Archive (2007)

Subject: Re: AMBER: error when using sander.LES: exceeded MAXLES

From: David A. Case (case_at_scripps.edu)
Date: Thu Jan 18 2007 - 11:12:23 CST

On Thu, Jan 18, 2007, Kailee wrote:

> Exceeded MAXLES 57536

You need to change the limits in $AMBERHOME/src/sander/les.h as well, since
this error is coming from sander, not from addles. Note that amber9 has a
much higher default limit than amber8, so this sort of problem should be less
common there.

...good luck....dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu