Re: [AMBER] ERROR in MM-PBSA

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 1 Sep 2010 19:29:41 -0400

Also, make sure AMBERHOME is set in addition to applying the bug fixes.
Your error message said .INC includes /src/mm_pbsa, but it should be
/usr/apps/amber10/src/mm_pbsa, or $AMBERHOME/src/mm_pbsa.

Hope this helps,
Jason

On Wed, Sep 1, 2010 at 11:31 AM, Dwight McGee <dwight.mcgee.gmail.com>wrote:

> Hi,
>
> Have you applied all the bug fixes?
>
> On Wed, Sep 1, 2010 at 11:10 AM, Siddharth Rastogi <
> siddharthrastogi08.gmail.com> wrote:
>
> > Dear AMBER users,
> >
> > I am doing some MM-PBSA Calculation for my protein-ligand complex.
> > However, I was just following the tutorial in the AMBER web page by Ross
> > Walker.
> > In the mean time I got the error as follows:
> >
> > Use of uninitialized value in concatenation (.) or string at
> > /usr/apps/amber10/exe/mm_pbsa.pl line 22.
> > Can't locate mm_pbsa_global.pm in .INC (.INC contains: /src/mm_pbsa
> > /usr/lib64/perl5/site_perl/5.8.8/x86_64-linux-thread-multi
> > /usr/lib64/perl5/site_perl/5.8.7/x86_64-linux-thread-multi
> > /usr/lib64/perl5/site_perl/5.8.6/x86_64-linux-thread-multi
> > /usr/lib64/perl5/site_perl/5.8.5/x86_64-linux-thread-multi
> > /usr/lib/perl5/site_perl/5.8.8 /usr/lib/perl5/site_perl/5.8.7
> > /usr/lib/perl5/site_perl/5.8.6 /usr/lib/perl5/site_perl/5.8.5
> > /usr/lib/perl5/site_perl
> > /usr/lib64/perl5/vendor_perl/5.8.8/x86_64-linux-thread-multi
> > /usr/lib64/perl5/vendor_perl/5.8.7/x86_64-linux-thread-multi
> > /usr/lib64/perl5/vendor_perl/5.8.6/x86_64-linux-thread-multi
> > /usr/lib64/perl5/vendor_perl/5.8.5/x86_64-linux-thread-multi
> > /usr/lib/perl5/vendor_perl/5.8.8 /usr/lib/perl5/vendor_perl/5.8.7
> > /usr/lib/perl5/vendor_perl/5.8.6 /usr/lib/perl5/vendor_perl/5.8.5
> > /usr/lib/perl5/vendor_perl
> /usr/lib64/perl5/5.8.8/x86_64-linux-thread-multi
> > /usr/lib/perl5/5.8.8 .) at /usr/apps/amber10/exe/mm_pbsa.pl line 23.
> > BEGIN failed--compilation aborted at /usr/apps/amber10/exe/mm_pbsa.plline
> > 23.
> >
> >
> >
> > I didn't understand the full error message.
> > So I tried to find it out from the AMBER mailing list.
> > I got one same type of posting (
> > http://archive.ambermd.org/200809/0335.html),
> > but unfortunately no reply to this question.
> >
> > I have also this problem with both amber 9 and 10.
> > Is it a problem with the installation ?
> > So can any one suggest, what is going on here.
> > Thank you for your suggestions.
> >
> >
> > Thanks
> >
> > --
> > Siddharth Rastogi
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> T. Dwight McGee Jr.
> Quantum Theory Project
> University of Florida
> Graduate Student
> dwight.mcgee.gmail.com
>
> "Problems cannot be solved at the same level of awareness that created
> them."
> Albert Einstein
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Sep 01 2010 - 17:00:04 PDT
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