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 
<nt_mahm...@yahoo.com> wrote:
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.
Assistant Professor
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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