Jack Shultz wrote:
I thought there was a way to introduce the random number generator via
the application
I was trying to use this parameter
Id_seed=-1
but it failed :-(
I suppose I can insert a random number to gen_seed every time I
submit. is there a range of numbers for gen_seed?
You could do that, and no, I don't think there's any pre-defined range (just
some integer). I believe you can just set gen_seed = -1 and grompp will
generate a random number each time. Using ld_seed is for sd and bd integrators,
per the manual.
-Justin
On Tue, Sep 29, 2009 at 1:12 PM, Justin A. Lemkul <[email protected]> wrote:
Jack Shultz wrote:
Hello,
What parameter do I set in the mdp file to make it random every time it
runs?
Random starting velocities? Use different values of gen_seed.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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