[AMBER] error in mmpbsa

From: Asfa Ali <asfa.iisc.gmail.com>
Date: Fri, 27 Aug 2010 14:50:40 +0530

Hi,

While running mmpbsa.pl, the run is getting aborted. In the pbsa_lig.5.out,
I found :

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

I checked the mailing list and found that perhaps I have to change the
fillratio from 2.000 to 3.000.

But how to exactly do so? Where would I find the fillratio?

Plz tell the detailed procedure.

Thanks a lot..
Asfa.
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Received on Fri Aug 27 2010 - 02:30:03 PDT
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