[AMBER] sander bomb: volume of ucell too big

From: Nancy <nancy4619.163.com>
Date: Sat, 6 Mar 2010 15:25:35 +0800 (CST)

Dear amber users,
I tried constant pressure for the first time after a successful
constant volume equilibration. I received the following error preceded
by the last time step that ran,What does this mean and What should I do?
The error is:
SANDER BOMB in subroutine nonbond_list
volume of ucell too big, too many subcells
list grid memory needs to be reallocated, restart sander .
My system is some carbon nanotubes which are packed together as a film, and the solvent is water. NPT ensemble is used. Some C atoms are put in aperture of carbon nanotubes to stop water flowing through the aperture , so water can flow only through carbon nanotubes .
Thanks in advance..
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Received on Fri Mar 05 2010 - 23:30:02 PST
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