From: Shailesh Pandey (shaileshp51_at_gmail.com)
Date: Mon Jun 09 2014 - 12:54:03 CDT
Dear NAMD users,
I am running NAMD simulations, but my problem is that users are allowed to
store only limited data (say 100GB) in their account at our computing
center, but when i run a simulations of 100ns allocated user space gets
filled and simulation is killed by scheduler before completing. I want to
simulations of 100ns length because jobs usually wait for weeks in queue
only after such long wait get chance to run, So I want when I get chance to
run i should run 100ns in one chance.
I want to write different DCD for every (say 20ns) so that once simulation
crosses 20 ns, it should start writing to different DCD file and after
backing up earlier one I can safely delete older DCD without affecting
Eg. setting restartsave yes we can save restart files for every restart
timestep, A similar thing i want for DCD file.
I can not increase DCDfreq, because frames are need for analysis.
Any help is appreciated thank you.
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