Re: [AMBER] MMPBSA.py

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 6 May 2015 15:45:45 -0400

On Wed, May 06, 2015, Ramin Ekhteiari wrote:

> I tested them but this script did not work.

I think you will need to give more explicit details to get real help.
It is very easy in email to lose track of what you mean when you are
implicitly referring to earlier emails in a thread.

*Exactly* what is the "them" you tested? When you say "this script did
not work" can you report exactly what you typed and what the result was?

Also:
   Do the MM-PBSA test cases pass?
   What was the result of checking your AMBERHOME and PATH variables?

> This problem maybe appears
> due to the installing of ambertools without amber code.

This should not be the case.

...thx...dac


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Received on Wed May 06 2015 - 13:00:02 PDT
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