AMBER Archive (2002)

Subject: Re: mm_pbsa error message!

From: Michael Ford (mford_at_ccrc.uga.edu)
Date: Wed Dec 18 2002 - 11:37:57 CST

you don't have your AMBERHOME directory set correctly

use this command (you should also just put it in your .cshrc file)

setenv AMBERHOME ~amberdirectory

where ~amberdirectory is the full pathname of your amber location

William Wei wrote:
>
> Hi all,
>
> It was the first time I tried to use mm_pbsa. I got the following message:
>
> arnold 111% /aspirin/software/amber7/amber7/exe/mm_pbsa.pl mm_pbsa.in >
> mm_pbsa.log &
> [5] 60199
> arnold 112% Use of uninitialized value at
> /aspirin/software/amber7/amber7/exe/mm_pbsa.pl line 22.
> Can't locate mm_pbsa_statistics.pm in @INC (@INC contains: /src/mm_pbsa
> /usr/share/lib/perl5/irix-n32/5.00404 /usr/share/lib/perl5
> /usr/share/lib/perl5/site_perl/irix-n32 /usr/share/lib/perl5/site_perl
> /usr/share/lib/perl5/sgi_perl .) at
> /aspirin/software/amber7/amber7/exe/mm_pbsa.pl line 23.
> BEGIN failed--compilation aborted at
> /aspirin/software/amber7/amber7/exe/mm_pbsa.pl line 23.
>
> [5] Exit 2 /aspirin/software/amber7/amber7/exe/mm_pbsa.pl
> mm_pbsa.in > mm_pbsa.log
> arnold 112% echo $AMBERHOME
> /aspirin/software/amber7/amber7
>
> File mm_pbsa.pl line 22.:
>
> 19
> ########################################################################
> 20
> 21 use strict;
> 22 use lib ("$ENV{AMBERHOME}/src/mm_pbsa");
> 23 use mm_pbsa_statistics qw(mm_pbsa_stat $gammaP $betaP $gammaG
> $betaG);
> 24
> 25
> ########################################################################
>
> Could somebody give me a clue for that? Thanks a lot.
>
> Regards,
>
> William
>
> -------------------------
> William Wei
> Faculty of Pharmacy
> 19 Russell Street
> Toronto, ON. M5S 2S2
> Tel: 1-416-946-8469
> Fax: 1-416-978-8511
> Email: william_at_phm.utoronto.ca
> william.wei_at_utoronto.ca