[gmx-users] Regarding simulation of ions-water system

Hello, I want to simulate Ca2+, CO32- ions in the water system. So these were the following commands i followed: gmx editconf -f abc.gro -box xxx -o def.gro gmx insert-molecules -f def.gro -ci ghi.gro -nmol x -o jkl.gro gmx solvate -cp jkl.gro -cs scp216.gro -o mno.gro gmx pdb2gmx -f mno.gro -o mno

Re: [gmx-users] Regarding simulation of ions-water system

Hi, On Mon, Jan 1, 2018 at 4:40 PM Dilip H N wrote: > Hello, > I want to simulate Ca2+, CO32- ions in the water system. So these were the > following commands i followed: > gmx editconf -f abc.gro -box xxx -o def.gro > gmx insert-molecules -f def.gro -ci ghi.gro -nmol x -o jkl.gro > gmx solvate