<br><br>Hi <br>How to make a solution with specific concentration ?<br><br>Command 1 =><br>editconf -d 0.75 -bt cubic<br>0.75=Distance between the solute and the box <br>cubic = the type of the simulation box<br><br><br>
Command 2 =><br>genbox -cp solute.gro -cs spc.gro -box Y Y Y <br>Y = the box vector in nm<br><br>If I use cubic in my system, is Y defined as the length of the cubic in the three directions?<br>Is the overall volume of the simulation box = Y * Y *Y (nm*nm*nm) ?<br>
Is the center of cubic on the origin (0,0,0) of the coordinate?<br><br><br>Thank you<br>Lin<br><br><br><br><br><br><br>