On 3/13/18 2:49 AM, Mahmood Naderan wrote:
No idea? Any feedback is appreciated.
You likely missed my reply:
On Friday, March 9, 2018, 9:47:33 PM GMT+3:30, Mahmood Naderan
I want to do some tests on the lysozyme tutorial. Assume that the tutorial with
the default parameters which is run for 10ps, takes X seconds wall clock time.
If I want to increase the wall clock time, I can simply run for 100ps. However,
that is not what I want.
I want to increase the amount of computation for every step, e.g. 1ps. Therefore I
want another run for 10ps which takes Y seconds wall clock time where Y>X. I
also want to increase the memory usage for each step compared to the default
values in the tutorial.
May I know which parameters are chosen for those purposes?
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalem...@vt.edu | (540) 231-3129
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