Re: [AMBER] problem with MMPBSA

From: Sushil Mishra <sushilbioinfo.gmail.com>
Date: Mon, 27 Sep 2010 13:54:40 +0200

Here is the error :

PB Bomb in setgrd(): focusing grid too large 2
reset fillratio to a larger number 2.000

change the fill ratio = 3 or 4 in the input file generated when ur job is
executing .. fillratio=3 works fine for me.


On Mon, Sep 27, 2010 at 1:48 PM, juzer stationwala <juzer.niper.gmail.com>wrote:

> there was no such file generated only file which may be related to ligand
> corresponding to sander was *pbsa_lig.1.out *
> I am hereby attaching it
> --
> Regards:
>
> Juzer Stationwala,
> Dept. of Pharmacoinformatics,
> National Institute of Pharmaceutical Education & Research
> (NIPER)
> Mohali,
> Punjab.
> India
>
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> AMBER mailing list
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>
>
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Received on Mon Sep 27 2010 - 05:00:09 PDT
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