From: Pedro Borkowski (pedro.borkowski_at_gmail.com)
Date: Sun Aug 21 2005 - 11:09:17 CDT
Someone suggested to me that the margin should be set to 2.5.
I tried this and I never had this problems with any of my simulationsafter that.
You can try that, but if anyone in the NAMD community can explain why2.5 is such a special number I would really like to know.
On 8/21/05, 吴洪明 <lsp04whm_at_zsu.edu.cn> wrote:> > > > Hi, > > I run namd for equilibration and after about 10000setps,occur the problem > > > > FATAL ERROR: Periodic cell has become too small for original patch grid! > > Possible solutions are to restart from a recent checkpoint, > > increase margin, or disable useFlexibleCell for liquid simulation. > > > > > > How can I solove this ???
-- -Pedro Borkowski
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:51 CST