[AMBER] Bug? Antechamber, Ambertools-1.4

From: Lianhu Wei <lianhu.wei.gmail.com>
Date: Thu, 19 Apr 2012 16:11:46 -0400

Dear Amber developer,

I did not find a place to report this. I do not know if this is a bug or not.

I was using antechamber to generate RESP charge for one compound. I
just used one conformation with Gaussian 09 version C01.

When I used two different machine, one is a Red hat linux workstation
(HP Z800), the OS version is "Red Hat Enterprise Linux Client release
5.7 (Tikanga)" the other is Redhat linux Cluster with OS version "Red
Hat Enterprise Linux Server release 5.7 (Tikanga)". I attached the
whole directory with my commands I had used. The RESP charge in the
prepi files from the two machine are totally different. Could you
take a look at this, and let me know if I did something wrong?

I have attached the two set of files in this email.


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Received on Thu Apr 19 2012 - 13:30:03 PDT
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