On 5/29/12 4:19 PM, Bao Kai wrote:
Hi, Justin,
Thank you very much for your help.
It seems that genbox will need really huge memory even with thousands
of molecules.
If we want to to further to tens or hundreds of thousands molecules,
do we need some cluster to run genbox in parallel?
genbox is not parallelized. If you need to create a very large system, create a
smaller system and replicate it with genconf -nbox. If memory is still an
issue, consider whether or not you need such a large system ;)
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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