Dear all I am caculating delta G by umbrella sampling with position pull in gromacs 4.5.after doing all of the steps when I want to use g_wham: g_wham -it tpr_files.dat -if pullf_files.dat -o -hist I have this error: found pull geometry position and more than 1 pull dimension(3) and it wants pdo files to do this analysis but I can not find any option -pd in this version of gromacs in mdrun command. What can I do to make pdo file in this version of gromacs? Thank you in progress Parto Haghighi -- 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
