On 2012-03-09 17:10, saly jackson wrote:
Hi all
As Justin said to fill a box with 80000 molecules I should construct
small boxes containing for example some hundred molecules with 'genconf'
and then build a big box including 80000 molecules. Now I want to know
how can I use 'genconf' and then genbox, instead of the following
command (Only genbox)?
genbox -ci H.gro -nmol 80000 -box 300 300 300 -p topol.top -o H-box.gro
try a smaller box and then you can scale it using editconf if needed.
Would you please help me?
Thanks
Saly
--
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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