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

Waipot Ngamsaad waipot.ngamsaad at ymail.com
Mon Nov 24 14:58:38 CET 2008

Hello Guys,

I am a newbie for GROMACS and MD also. I apologize if this is a stupid question :).

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.

Have a great day 

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