Hello gmx_users, I want to pull ligand out of binding pocket of protein using a spring of some force constant which i will vary with each simulation and with varying pulling velocity.
F=K(xspring - x ligand) using this equation.Now I am stucked up how to decide initial position of ligand and spring i.e.afm_init1 and afm_vec. Please guide me in this section. Thanx. ----------------------------------------- This email has been sent using ArithMail at "Indian Institute of Information Technology, Allahabad, U.P, INDIA" Web: http://www.iiita.ac.in, Email: [email protected] -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
