VMD-L Mailing List

From: sseefeld_at_uwm.edu
Date: Tue Aug 15 2006 - 10:01:28 CDT

I have isolated the issue of the scrolling terminal. This issue only happens
when i try to do any type of minimization. I did this by commenting out the
minimization lines at the end of a simplified configuration file i am using to
test the issues. I also tested one that contained periodic boundary conditions
that also did not give me the scrolling terminal as long as minimization was
removed.

Now instead i get the

ERROR: Atom 341 velocity is 1.54849e+07 3.56522e+07 5.47567e+06 (limit is 10000)
ERROR: Atom 1757 velocity is -5792.88 -2509.62 8582.83 (limit is 10000)
ERROR: Atom 1765 velocity is -1.29984e+06 -2.99224e+06 -459819 (limit is 10000)
ERROR: Atoms moving too fast; simulation has become unstable.

I believe there were some solutions in the mailing list archive for this so i am
sifting through them now. The atom velocities are even a greater problem with
perodic boundary conditions. Once i solve this issue i hope the minimization
issue will resolve itself as well. Appreciate the help.

Reguards, Sean Seefeld 

-- 
Sean Seefeld
Undergraduate Researcher
University of Wisconsin - Milwaukee
3210 N. Cramer Street
Milwaukee, WI 53211-3029
sseefeld_at_uwm.edu