Thank you Justin, But you not added these parameter to the Umbrella sampling NPT file. Is any reason not to use these parameter in Umbrella sampling??
I run the simulation of peptide withought any refcoord_scaling = com in mdp file and now is it will affect result significantly?? Is it wrong simulation??? How to check these parameter affect my result sensitivity??? Please give me valuable guidance to solve my query.. With Best Wishes and regards, Rama David -- 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
