Dear Gmx Users, I want to simulate protein line chain (80 residues) in explicit sovent. Let's assume its axis is x direction. What should be the z and y dimension of the box? Is there any rule? Would you wait e.g. for 50 ns when it folds and then decrease the simulation box?
thank you Steven -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
