Re: [AMBER] Problem in calculating MMPBSA-GBSA

From: Ray Luo <rluo.uci.edu>
Date: Wed, 25 Sep 2019 23:30:52 +0800

Please make sure you have carefully followed the installation
procedure and successfully run all test cases before using any program
for your own problems.

All the best,
Ray

--
Ray Luo, Ph.D.
Professor of Structural Biology/Biochemistry/Biophysics,
Chemical Physics, Biomedical Engineering, and Chemical Engineering
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
On Wed, Sep 25, 2019 at 1:54 PM Airy Sanjeev <airy.sanjeev01.gmail.com> wrote:
>
> Hello Amber Users,
>
> I have tried calculating the MMPBSA-GBSA method using both the perl and
> python script in AMBER but I am facing trouble in running the binding free
> energy.
>
> The error shows:
>
>
>
> *syntax error at ./mm_pbsa.pl <http://mm_pbsa.pl> line 23, near "$SETENV my
> "Global symbol "$AMBERHOME" requires explicit package name (did you forget
> to declare "my $AMBERHOME"?) at ./mm_pbsa.pl <http://mm_pbsa.pl> line
> 23.BEGIN not safe after errors--compilation aborted at ./mm_pbsa.pl
> <http://mm_pbsa.pl> line 24.*
>
> Please help me in this regard.
> --
> with best regards,
> Airy Sanjeev, PhD
> Post Doctoral Fellow
> Indian Institute of Technology Guwahati, Guwahati
> Assam-781039, India
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Received on Wed Sep 25 2019 - 09:00:02 PDT