From: Ivan Ufimtsev (iufimts2_at_uiuc.edu)
Date: Fri Apr 14 2006 - 00:08:32 CDT
Probably you're using too small simulation cell. Try to increase the cell
size and/or decrease the cutoff of non-bonded interactions. Maybe you should
decrease pairlistdist as well.
This may help.
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of lily jin
Sent: Thursday, April 13, 2006 11:40 AM
Subject: namd-l: Periodic cell has become too small for original patch grid!
I got this error messege and then I enlarged the margin of the water box
from 5 to 8. The useFlexibleCell was set no. The problem was not solved.
What is the margin you usually set? Is there possibly another solution?
Thank you very much!
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