AMBER Archive (2007)

Subject: Re: AMBER: Can't run Normal Mode Analysis !!!

From: Scott Pendley (scott.pendley_at_gmail.com)
Date: Mon Jan 22 2007 - 11:05:26 CST

Jitrayut,

You may want to search the archives before posting error messages. I have
received the undefined value in ARRAY referrence message when I forget to
have mm_pbsa create snapshots. Ensure that snapshots are created and/or the
snapshots titles match the input title expected.

Scott

On 1/21/07, jitrayut jitonnom <jitrayut.018_at_gmail.com> wrote:
>
> Dear amber users,
>
> I found a problem on running normal mode analysis. This is a command
> line i type:
>
> # mm_pbsa.pl nmode.in > mm_pbsa.log.save &
>
> But i found this error appear:
>
> Can't use an undefined value as an ARRAY reference at
> /AMBER/amber9/src/mm_pbsa/mm_pbsa_statistics.pm line 1294.
>
> what is this error ? and what i can do for solve this problem.
> Moreover, the input file is attach below;
>
> Here the input file (nmode.in)
>
> @GENERAL
> PREFIX enz_lig_wt
> PATH ./
> #
> COMPLEX 0
> RECEPTOR 0
> LIGAND 1
> #
> COMPT XXX
> RECPT XXX
> LIGPT ./lig.top
> #
> GC 0
> AS 0
> DC 0
> #
> MM 0
> GB 0
> PB 0
> MS 0
> #
> NM 1
> @NM
> DIELC 4
> MAXCYC 1000
> DRMS 0.1
> @PROGRAMS
>
> Any suggestions will be appreciated.
>
> Thank you in advance.
>
> Jitrayut
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