[gmx-users] positional restraint

Hi, I was wondering if it would be possible to apply positional restraint to an atom w.r.t an arbitrary coordinate. Say for eg. I want to constrain the distance between an atom and the origin(0,0,0) during MD. Is it possible to do that in GROMACS. Thanks Krishna

Re: [gmx-users] positional restraint

krishnakumar wrote: Hi, I was wondering if it would be possible to apply positional restraint to an atom w.r.t an arbitrary coordinate. Say for eg. I want to constrain the distance between an atom and the origin(0,0,0) during MD. Is it possible to do that in GROMACS. I don't believe