[gmx-users] Replacing molecules in .gro coordinate file

Omer Markovitch omermar at gmail.com
Wed Nov 26 09:51:01 CET 2008

> Supposed I have a .gro file of 38 molecules of A which are already in
> equilibrated conformations. Now I want to transform 15 molecules of A into B
> therefore I will have the binary mixture of A/B with 13:15 molar ratio in
> the final structure. How can I do this? Any suggestions will be appreciated.

Maybe open A & B in vmd together, and then save them as one PDB? Omer.
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