RE: [gmx-users] Calculation of water density around certain protein residues

ubject: [gmx-users] Calculation of water density around certain > protein residues > > Hi, > > I want to know the exact way to calculate the density of water around > certain residues in my protein. I tried to calculate this by using > g_select, with the following command :- >

[gmx-users] Calculation of water density around certain protein residues

Hi, I want to know the exact way to calculate the density of water around certain residues in my protein. I tried to calculate this by using g_select, with the following command :- g_select -f nvt.trr -s nvt.tpr -select "Nearby water" resname SOL and within 0.5 of resnr 115 to 118 -os water.xvg