[gmx-users] .gro File manipulation

Andres Ortega og_andres15 at hotmail.com
Thu Feb 13 06:14:21 CET 2014

Dear Gromacs Users, 

I hava a membrane channel in a .gro file, but the -n and -c terminal are
bigger, i mean the channel box is bigger( in x and y) than the membrane (512
POPC) , 
my 512 POPC is created using genconf with a 128POPC
so i create a 1152 POPC with genconf nbox 3 3 1 , but there are to much POPC
is there a tool in gromacs that i can select the box size and just that POPC
molecules in that box instead of using the entire membrane,

or i have to chech the 128POPC, and delete molecule, and then prepare a more
adecuate membrane.gro with genconf ?

I would appreciate any help or advice


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