[gmx-users] Function type Fourier Dih. not implemented in ip_pert

[Dr. Vitaly Chaban]

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