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