[gmx-users] Help with combining to .gro files into one simulation
spoel at xray.bmc.uu.se
Sat Sep 3 09:08:36 CEST 2005
On Fri, 2005-09-02 at 17:52 -0700, Chris Gaughan wrote:
> I am trying to to simulate dimerization of two
> peptides. Each peptide has its own .gro file. Is there
> any way I can combine these 2 .gro files into one .gro
> file so I can perform the simulation? Or do I minimize
> their energies separately (in their own solvent
> boxes)and then combine them. Again, how could I put
> them together?
using a text editor.
> Thanks for any advice
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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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