Andy Shelley wrote:
I would like to use air as a "solvent" with genbox instead of water. I
have read the manual but have not found any information to help me. Any
information would be beneficial.
There is no real automated way to make your own exotic solvents. If you have
coordinate files of the constituent molecules, you could generate a file
containing all of them with genconf (as well as adding in other species using
genbox -ci -nmol). Once you have "air.gro" simply use it in genbox as you would
with any other solvent.
-Justin
Thanks,
Andy
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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