[gmx-users] Virtual Sites - remove from GRO

Steven Neumann s.neumann08 at gmail.com
Mon May 14 14:42:10 CEST 2012


Dear Gmx Users,

i run the implicit simulation with virtual sites on the hydrogen of my
protein. Now I want to extract coordinates and run another simulation (in
explicit solvent). Is there any way to remove those virtual sites from my
gro file as VMD write the file using atoms not recognized by pdb2gmx
obviously? Please, help!

Steven
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