Dear Gromacs Specialists, I made a box consists of water with box lengths: 6nm * 6nm * 6nm , then I equilibrated it with NPT ensemble, box size increased to 6.66176, then I kept the x- and y-dimensions fixed, and double the system size in z as following: editconf -f pr1.gro -o newbox1.gro -box 6.66176 6.66176 13.32352 -center 3.33088 3.33088 3.33088 Next that, I placed one surfactant in center of water phase as following: editconf -f surfactant.gro -o newbox-cta.gro -box 6.66176 6.66176 13.32352 -center 3.33088 3.33088 1.66544 genbox -cp newbox-cta.gro -cs newbox1.gro -o newbox2.gro and I added one ion to my system, then ran md.mdp for production simulation.
Do I have one air/water interface in my system? Please help me. Best Regards Sara
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