Re: [AMBER] problem with MMPBSA.py

From: Mengjuei Hsieh <mjhsieh.gmail.com>
Date: Fri, 15 Jan 2010 23:15:40 -0800

On Fri, Jan 15, 2010 at 10:44 PM, xueqin pang
<pangxueqintea.yahoo.com.cn> wrote:
> Jason,
> when doing pb calculation, the error report is :
> Error: PB bomb in pb_reslist(): maxnbr too small
>   The number of pairs is  36703221
>   maxnbr is  36702000
>   One approach would be to decrease cutres.
> So where to change cutres, we should change it bigger, right?
> Thanks and good weekend

I think you should make it smaller, as sander output told you.

Best,
-- 
Mengjuei
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Received on Fri Jan 15 2010 - 23:30:03 PST
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