[gmx-users] com motion
denn22 at excite.com
Fri Apr 4 11:15:01 CEST 2003
Dear Gromacs Team,
I would like to ask one issue. I have defined a substrate-enzyme
complex system, using pdb2gmx as 1 molecule in the .top file. I might
have also defined the same system as 2 molecules such as protein and
ligand in the .top file.
I am simülating center of mass motion, Does it differ for the program
to see the system as one or two molecules in the aspect of ligand center
of mass simülation?
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