[gmx-users] Combining two molecules in one simulation
spoel at xray.bmc.uu.se
Wed May 25 22:11:49 CEST 2005
On Wed, 2005-05-25 at 12:54 -0700, Chris Gaughan wrote:
> I have separate trajectory files for two energy
> minimized molecules. I want to put them very close to
> each other and see how they align themselves. How can
> I do this? Do I make a solvent box for each and then
> combine the boxes?
In another MD simulation I presume? In that case, yes.
> If so, how does one combine two boxes into one?
Using emacs or another text editor.
> Chris G
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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