Re: [gmx-users] Positive potential energy during Energy minimization step

On 8/8/14, 7:25 AM, neha bharti wrote: I am trying to perform MD for protein ligand protein complex in popc lipid with charmm36 force field and also follow Justin A. Lemkul tutorial. After Adding Ion genion -s ions.tpr -o pro_POPC_sol_ions.gro -p topol.top -pname NA -np 1 -nname CL I preform

[gmx-users] Positive potential energy during Energy minimization step

I am trying to perform MD for protein ligand protein complex in popc lipid with charmm36 force field and also follow Justin A. Lemkul tutorial. After Adding Ion genion -s ions.tpr -o pro_POPC_sol_ions.gro -p topol.top -pname NA -np 1 -nname CL I preform energy minimization step. In energy minimi