I know that I could do it this way, but I wanted to put it such that I
can run the mm_pbsa.pl calculation from scratch. This would overwrite
the sander input file with the altered namelist block.
Carsten
David A. Case wrote:
> On Mon, Nov 22, 2004, Carsten Detering wrote:
>
>>I would like to know how, respectively where to change the 'fillratio'
>>parameter for an mm_pbsa calculation (error was PB Bomb in setgrd():
>>focussing grid too large 2).
>
>
> You should be able to put "fillratio=4" in the &pb namelist block.
>
> ...dac
>
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Received on Mon Nov 22 2004 - 23:53:00 PST
