Hello I am trying to simulate lipase in water in ffamber99sb-ildn. Chosen "cubic" as box with distance of 1nm b/w solute n box. Protein is going out of the box after equilibration step. Any solution?
Should i use *freezegrps* option to restrict protein movement. Please provide some light to this option. What effect it will have on the whole system? -- Yuvraj
-- 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
