On 2013-03-24 09:23, [email protected] wrote:
Dear all,
I am new to gromacs. I would like to add water molecules of specific number into my systems. As I found no
answer out of the manual, I have to ask you for help. How can I specify water molecules number (like 484
water molecules) added into my system. Does it has anything with "-ci" and "-nmol"
options of the program "genbox"? Your reply would be appreciated.
genbox -h
try -maxsol
Thanks,
Zhikun, from USTC
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
[email protected] http://folding.bmc.uu.se
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