I have one water molecule in my gro file as below:
TIP4P
4
1SOL OW 1 0.054 0.005 0.022
1SOL HW1 2 0.009 0.072 0.073
1SOL HW2 3 0.142 0.041 0.008
1SOL MW 4 0.060 0.018 0.026
0.00 0.000 0.000
Then use the command bellow to generate 13853 water molecules in the
box.
"insert-molecules -ci water.gro -box 10.1103 10.34753 3.9599998 -nmol
13853 -o insert.gro"
But, the water did not settle during energy minimization. When I
reduced the
numebr of water to 5000, it works, but it does not have the correct
density. I need 13853 number of molecules. It seems that gmx insert
generates water without considering the correct distance between them.
Do you have any idea to solve this problem?
Thank you in advance!
Golnaz
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