From: Xingcheng Lin (linxingcheng50311_at_gmail.com)
Date: Tue Oct 15 2013 - 11:30:49 CDT
After some periods of simulation with Gromacs previously, I have now tried
to use NAMD as a new user.
Is there any flag or plugin in NAMD similar as -maxh in Gromacs? In another
way, any way to specify the maximum time for doing simulation in one run,
regardless of how many time steps set up in the configuration file?
This function may be useful for cluster simulation. There I can finish the
run before the Walltime limit to avoid a sudden crash of simulation.
Further, I can perform some other scripts at the end of each cycle of
I hope it is clear,
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