[gmx-users] g_select same residue as

xy21hb xy21hb at 163.com
Thu Mar 5 11:56:47 CET 2015


Dear GMXers,


I used g_select to select some distance e.g. 5A of the solvent e.g. water w.r.t. a protein,
The results gives atoms within that range. However, what if I need to have those solvent molecules that have at least one atom in the range listed?
So it is pretty much like "same residue as" in VMD. Can gromacs do that?


Thanks,


Yao  


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