AMBER Archive (2006)

Subject: Re: AMBER: MM-PBSA

From: David A. Case (
Date: Thu Feb 02 2006 - 13:00:23 CST

On Wed, Jan 25, 2006, Douali, Latifa wrote:
> When I tried to calculate the free energy, the calculation crashed
> giving this error message:
> "Died at /home/latifa/amber8/src/mm_pbsa/ line 344."
> And in the output (mm-pbsa.log) file I got this :
> Cannot find directory ../twelvemerG_nowater_snapshots/

So, the "obvious" question: does this error message help? Is there any
chance that you mis-spelled the actual directory name (since it is so long)?
Your mail didn't give any statements such as "I am sure this directory
exists..." Also, since this is a relative directory, make sure you are
running the script in the correct directory.

....good luck...dac

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