Hi all,
I want to run my system first for timestep=2fs ,after 2ns of run I want to switch to .5fs timestep.These 0.5fs run will generate huge trajectory file to I want save trajectory in different files say after every 10000 steps.
Please tell me way so that I can save trajectory in many files instead of just one.
With regards,
Hemant Kumar
Since you can use the dump command as many times as
you wish (and undump to close files) in an input script, and
you can do multiple run commands or looping in your input
script, there are many ways to do what you want. I'd experiment
with a small system and short runs and get it to work the
way you want it.
Steve