[gmx-users] implicit solvent with periodic molecules

Анна Павловна Толстова tolstova at physics.msu.ru
Thu Oct 29 12:40:14 CET 2015


Hello, gmx_users.

Is that possible to simulate a protein adsorption on graphite sheet with
implicit solvent? It works good in vacuo and with explicit solvent with
periodic-molecules = yes. But implicit solvent requires no PBC so that
periodic molecules should be switched off too. Is there any idea how to
perform this simulation?

Best wishes,
Tolstova Ann


More information about the gromacs.org_gmx-users mailing list