Re: [AMBER] energy decomposition

From: Bill Miller III <brmilleriii.gmail.com>
Date: Wed, 7 Apr 2010 17:45:18 -0400

It is difficult to determine what exactly is happening since you did not
attach your input file. However, since the error is within
mm_pbsa_readinput.pm, this means there is certainly something wrong with
your input file. Check your input file for any inconsistencies. If you look
at line 327 in /home/software/amber8//src/mm_pbsa/mm_pbsa_readinput.pm, this
should give you some indication of the variable being read when the error
occurs.

Good luck!

-Bill

On Wed, Apr 7, 2010 at 5:29 PM, Ganesh Kamath <gkamath9173.gmail.com> wrote:

> Hi All,
>
> When I do dc =1 in the bindingenergy mmpbsa script for calculating the
> energies of the solvated protein I get this
>
> Died at /home/software/amber8//src/mm_pbsa/mm_pbsa_readinput.pm line 327.
>
> Could someone please suggest and help.
>
> thanks,
>
> ganesh-
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Received on Wed Apr 07 2010 - 15:00:04 PDT
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