[gmx-users] Implicit Solvent seems to collapse molecule to origin

with brownian dynamics. Parameters – Langevin dynamics = bd – Bd_fric= 95 [amu ps^-1] – Implicit_solvent= GBSA – gb_altorithm= OBC – gb_epsilon_solvent = 80 (dielectric constant of H20) – Sa_surface_tension = 2.092 [kJ mol^-1 nm^-2 ] – Thermostat= vscale Thanks for any help. -- Andrew Mauro

[gmx-users] Using the Berendsen Barostat to Initialize and then switch to Parrinello-Rahman

tly appreciated. -- Andrew Mauro -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send

[gmx-users] Posting to list

andrewkma...@gmail.com -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-us