[gmx-users] Re: Change in the position of structural Zinc and calcium ions during MD

Hi Justin, Below I pasted .mdp file and topology. In .log file I could see energy term for position restraints. .mdp file--- title = NPT Equilibration define = -DPOSRES ; position restraints for protein ; Run parameters integrator = md

Re: [gmx-users] Re: Change in the position of structural Zinc and calcium ions during MD

On 11/12/13 1:47 PM, Rama wrote: Hi Justin, Below I pasted .mdp file and topology. In .log file I could see energy term for position restraints. .mdp file--- title = NPT Equilibration define = -DPOSRES ; position restraints for protein ; Run