[gmx-users] what's the easiest way to generate a md trajectory for ligand flying into/being pulled out of the pocket?

Victor Ma victordsmagift at gmail.com
Wed Aug 26 19:31:05 CEST 2015

hello all

I got a urgent request to make a MD movie for pulling the ligand out of the
binding site/or the ligand flying into the pocket . I feel like i need to
run something like steered md, which I've never done before. So can anyone
please suggest a quick and "dirty" way to generate such a movie?

Thank you!!


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