Lee Soin wrote:
Hello!
I am confused about random factors in GROMACS, because I find
that different runs of the same .tpr file do not generate identical
results. I know that Langevin dynamics introduces random forces,
but what are the other random factors in GROMACS? Many thanks in advance.
There is some useful information here:
http://oldwiki.gromacs.org/index.php/Extending_Simulations
Check the "Exact versus binary identical continuation" section.
-Justin
--
SUN Li
Department of Physics
Nanjing University, China
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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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