Dear Gromacs Users/Developers, I am facing problem for doing umbrella sampling simulation for the transferring of a small peptide across a membrene in presence of electric field. Moreover, the simulation was carried out at constant area. Martini force field for protein, lipid and water was used for this simulation. The electric field was applied along the -z direction across the membrane. The problem, which I am facing is that the position of membrane is shifted a lot during this this simulation. Moreover, I notice the shifting of membrane is significantly enhanced when I apply high electric filed. I don't have any clue for this shifting problem. If anyone have idea to arrest the shifting problem then please share it. A copy of my input file is attached herewith.
Thanks in advance Sudipta
-- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
