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AMBER Archive (2006)Subject: Re: AMBER: PB bomb in pb_atmlist(): MAXNEI too short
From: Scott Brozell (sbrozell_at_scripps.edu)
Hi,
Your input file uses the default values of cutfd, cutnb, cutsa.
! maximum number of neighboring atoms per atom
#define MAXNEI 512
You may want to wait for a reply from someone with pbsa experience.
Scott
On Mon, 10 Apr 2006, snowyowls wrote:
> i using amber8 to run a pbsa caculation and it failed with a message
PB bomb in pb_atmlist(): MAXNEI too short
here is my pbsa.in file
&cntrl
i have search this fail message in maillist achive but not find any
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