I have a .pdb
file containing water molecules.
TITLE Generated by gmx solvate
REMARK THIS IS A SIMULATION BOX
CRYST1 12.500 12.500 12.500 90.00 90.00 90.00 P 1 1
MODEL 1
ATOM 1 OW SOL 3 5.300 10.220 4.860 1.00 0.00
ATOM 2 HW1 SOL 3 6.200 9.970 4.700 1.00 0.00
ATOM 3 HW2 SOL 3 5.260 11.150 4.630 1.00 0.00
ATOM 5 OW SOL 4 8.140 4.780 4.990 1.00 0.00
ATOM 6 HW1 SOL 4 7.890 5.660 5.270 1.00 0.00
ATOM 7 HW2 SOL 4 8.110 4.810 4.030 1.00 0.00
ATOM 9 OW SOL 5 2.560 5.060 4.270 1.00 0.00
ATOM 10 HW1 SOL 5 2.880 5.940 4.090 1.00 0.00
ATOM 11 HW2 SOL 5 2.440 5.040 5.220 1.00 0.00
ATOM 13 OW SOL 6 3.340 9.190 13.280 1.00 0.00
ATOM 14 HW1 SOL 6 3.970 8.660 12.790 1.00 0.00
ATOM 15 HW2 SOL 6 3.150 9.930 12.710 1.00 0.00
ATOM 17 OW SOL 7 6.550 2.610 5.140 1.00 0.00
ATOM 18 HW1 SOL 7 7.130 3.370 5.160 1.00 0.00
ATOM 19 HW2 SOL 7 5.900 2.820 4.470 1.00 0.00
I want to generate the charges on these atoms using gromacs. What commands will i run with which force-field to do this ?