AMBER Archive (2004)

Subject: Re: AMBER: found unknown atflg PB

From: Holger Gohlke (
Date: Thu Jul 22 2004 - 09:56:38 CDT

Scott wrote:
> I am attempting to execute mm_pbsa for the first time using amber 8 and
> I keep running into this error. It would appear not to recognize the
> flag for the PB section although when looking in the log file, the
> program has read in the first variable of that section. Has anyone run
> into this error before? Thank you in advance.

Your input file doesn't look bad to me. Did you try what happens if you
do the example in
$AMBERHOME/amber8/src/mm_pbsa/Examples/03_MMPBSA_Binding ?

Best regards


> Scott
> My input and log file are attached below.
> ------------------------------------------------------------------------
> Name: error.log
> error.log Type: Plain Text (text/plain)
> Encoding: 7bit
> Name: PBSA.IN
> PBSA.IN Type: Plain Text (text/plain)
> Encoding: 7bit
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