[gmx-users] genconf

[David van der Spoel]

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.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se