Dear users,
I ran a WHAM analysis after umbrella sampling simulation, and this error occurred: Reading pull force file with pull geometry distance and 1 pull dimensions Expecting these columns in pull file: 0 reference columns for each individual pull coordinate 1 data columns for each pull coordinate With 1 pull groups, expect 2 columns (including the time column) Reading file umbrella1.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella2.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella3.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella4.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella5.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella6.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella7.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella8.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella9.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella10.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella11.tpr, VERSION 5.1.4-dev (single precision) Reading file umbrella12.tpr, VERSION 5.1.4-dev (single precision) ------------------------------------------------------- Program gmx wham, VERSION 5.1.4-dev Source code file: /home/biotech/Downloads/gromacs-5.1.4/src/gromacs/gmxana/gmx_wham.cpp, line: 2240 Fatal error: Empty pull force file npt12_pullf.xvg Why is the pull force file not generated for the particular xvg file? If the file is empty, then how should I fix it? Should I redo the umbrella sampling simulation? With thanks and regards, Norfarisha binti Mohd Fadil Student Department of Chemistry Faculty of Science UTM, Johor Bahru Malaysia -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.