From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Fri Nov 30 2007 - 19:20:07 CST
Dear community,
I have run a simulation with NAMD using 150 mM of NaCl. I used
wrapAll off
wrapWater on
I noticed that the ions move out of the the primary cell because they
don't get wrapped around. The simulation lasted 40 ns. Is this a problem?
I know that the ions are internally wrapped around, but does it work
correctly even if they fly far away from the primary cell? I also
restarted the simulation after every ns. Could this give a problem?
Thanks a lot,
Gianluca
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Dr. Gianluca Interlandi gianluca_at_u.washington.edu
+1 (206) 685 4435
+1 (206) 714 4303
http://biocroma.unizh.ch/gianluca/
Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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