Re: [gmx-users] g_select question

Hi, On Wed, May 8, 2013 at 4:44 PM, Albert wrote: > I am trying to run g_select with command: > > g_select -f md.xtc -s md.pdb -os water.xvg -sf selection.dat > > in the selection.dat I defined the following: > > watero= name 0 and resname T3P; > close = water0 and within 0.6 of resid 50; > clos

[gmx-users] g_select question

Dear: I am trying to run g_select with command: g_select -f md.xtc -s md.pdb -os water.xvg -sf selection.dat in the selection.dat I defined the following: watero= name 0 and resname T3P; close = water0 and within 0.6 of resid 50; close; my residue 50 is in the deep pocket of protein and the