Chih-Ying Lin wrote:
Hi
I want to get the simulation results fater and want to set
the time step
dt > = 0.002
what is the upper limit of the time step dt ?
Some textbook reading is probably in order here. Also of interest are papers
describing constraint algorithms. Ultimately the timestep will be dependent
upon energy conservation, choice of virtual sites, etc. The manual will also
provide some relevant information.
-Justin
Thank you
Lin
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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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