[gmx-users] Help with combining to .gro files into one simulation

Chris Gaughan clgaughan68 at yahoo.com
Sat Sep 3 02:52:35 CEST 2005


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?

Thanks for any advice

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