[gmx-users] g_select same residue as

Josip Lovrić josip7lovric at gmail.com
Thu Mar 5 11:58:31 CET 2015


>From my experience, yes it can.

Josip

2015-03-05 11:56 GMT+01:00 xy21hb <xy21hb at 163.com>:

> 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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