Hi
I am creating the water box with the following command.
The maxsol = 800; but # of SOL = 27;
The H2O water density = 6.4617 g/l << 1000 g/l
Did I do anything wrong on my genbox command or 1w.gro file?
Thank you
Lin
genbox -cp 1w.gro -cs 1w.gro -o box.gro -box 5 5 5 -maxsol 800
Output configuration contains 81 atoms in 27 residues
Volume : 125 (nm^3)
Density : 6.4617 (g/l)
Number of SOL molecules: 27
Here is the 1w.gro
216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984
3
1SOL OW 1 .230 .628 .113
1SOL HW1 2 .137 .626 .150
1SOL HW2 3 .231 .589 .021
1.86206 1.86206 1.86206
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