AMBER Archive (2008)

Subject: Re: AMBER: MM_PBSA problem in binding_energy

From: jacopo sgrignani (
Date: Wed May 14 2008 - 13:43:55 CDT

Hi mattia
You can have a look to this web page:

There are some good advices to fix problems in mm-pbsa calculations.
In my opinion you can have a problem whit the amount of memory in your sistem.


Jacopo ha scritto:
> Dear Amber Users,
> I'm trying to apply MM_PBSA methods according to the tutorial written
> by Ross Walker for a system similar to the ras-raf of the tutorial.
> after extracting coordinates, I run using as input file the
> one showed in the tutorial adapted to my system.
> I always got the same error in pbsa_com.2.out:
> PB bomb in pb_setgrid(): Allocation aborted 0 0 0
> Anyone can help me?
> thanks in advance
> mattia

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