Program mdrun_mpi, VERSION 4.6.2 Source code file: /gromacs-2014.01.14-12-21-22-nbreLi.itsi/gromacs-4.6.2/src/gmxlib/topsort.c, line: 136
Fatal error: Function type Fourier Dih. not implemented in ip_pert What is this while running free energy code? How to get rid og it? free-energy = yes nstdhdl = 10 couple-moltype = to sc-power = 1 sc-sigma = 0.3 sc-alpha = 1.0 couple-intramol = no couple-lambda1 = vdw-q couple-lambda0 = none foreign-lambda = 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 init-lambda = 0.1 Dr. Vitaly V. Chaban -- 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.
