[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

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

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