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Maria Hamilton wrote:
Hi
I want to build my simulation box as tutorial. However I change
"vdwradii.dat" file according to the tutorial liquid 2 mix with liquid
1. What should I do?
So increase the radius of whatever atom types are needed until the solvents
don't mix. The tutorial provides a generic workflow for a discrete system; you
may have to tweak it to suit your needs.
-Justin
Thanks
Maria
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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