It depends on the molecule's size and on how many processors/cores, of
course.
Not sure if an estimate in advance of the run is available, best to ask
Charles :)
On 11/13/18 12:49 AM, ZhangYikan wrote:
Absolutely yes, at the end end of the log file, the CPU time is reported. And
what I want to know is that how can we estimate the CPU time before I run this
script. For example, can we estimate the how much time this script(
xplor-nih-2.48/eginput/rna/fold.py) cost? how about estimate the runtime by
some MD parameters of this script?
Thank you!
在 2018年11月12日，下午8:13，ZhangYikan <[email protected]> 写道：
hi all,
When I want to run Xplor-NIH to refine a structure or to do some docking, I do
not know how to estimate the time spent of the scripts.
Did someone know how to calculate the runtime of the Xplor-NIH scripts?
Thank you!
Yikan
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