Periodic cell has become too small for original patch grid!

From: lily jin (lily1907_at_yahoo.com)
Date: Thu Apr 13 2006 - 11:40:24 CDT

• Next message: Pijush Ghosh: "RE: High VDW energies during minimization and dynamics"
• Previous message: Deva Priyakumar: "High VDW energies during minimization and dynamics"
• Next in thread: JC Gumbart: "Re: Periodic cell has become too small for original patch grid!"
• Reply: JC Gumbart: "Re: Periodic cell has become too small for original patch grid!"
• Reply: Ivan Ufimtsev: "RE: Periodic cell has become too small for original patch grid!"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear all,
  
  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!
  
  
  

Lily
                        
---------------------------------
Yahoo! Messenger with Voice. PC-to-Phone calls for ridiculously low rates.

• Next message: Pijush Ghosh: "RE: High VDW energies during minimization and dynamics"
• Previous message: Deva Priyakumar: "High VDW energies during minimization and dynamics"
• Next in thread: JC Gumbart: "Re: Periodic cell has become too small for original patch grid!"
• Reply: JC Gumbart: "Re: Periodic cell has become too small for original patch grid!"
• Reply: Ivan Ufimtsev: "RE: Periodic cell has become too small for original patch grid!"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:41:55 CST