Maria Hamilton wrote:
Hi all
If I want to add a simulation box an identified number of water
molecules what should I do?
In manual I see -nmol and -ci in genbox for insert extra molecules but I
don't know for solvent what should I do?
Please read about the -maxsol option. I think you will find it most
informative.
-Justin
Thanks alot
Best Regards
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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