VMD-L Mailing List
From: lily jin (lily1907_at_yahoo.com)
Date: Wed Feb 22 2006 - 14:01:30 CST
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``atoms moving too fast; simulation has become unstable''
I am fine with a start-from-scratch run. But as I resume the simulation with restart conformation files, I got the error messege as above. Is there a problem with my original PDB or PSF file? Or there is something wrong with my previous simulation (There is no error message)?
I changed the cutoff value and pairelistdist value, the problem is still there.
Do you have any advice?Thanks!
Lily
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- Next message: Xifang Wang: "Mapping electronic potential to surface"
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