Hi all, I was preparing my system for a simulation and after using grompp i got the following message:
Fatal error: Invalid T coupling input: 2 groups, 1 ref_t values and 1 tau_t values For more information and tips for troubleshooting, please check the GROMACS for more information here goes the mdp file: title = 500ps_pr_fixo cpp = /lib/cpp define = -DPOSRES integrator = md tinit = 0 dt = 0.002 nsteps = 250000 ; total 500 ps comm-mode = Linear nstcomm = 1 nstxout = 500 nstvout = 20000 nstfout = 20000 nstlog = 1000 nstenergy = 100 nstxtcout = 500 xtc-precision = 1000 energygrps = Protein SOL CL- 3 nstlist = 5 ns_type = grid pbc = xyz rlist = 1.0 domain-decomposition = no coulombtype = PME rcoulomb = 1.0 epsilon-r = 1 vdw-type = Cut-off rvdw = 1.0 DispCorr = EnerPres optimize_fft = yes Tcoupl = V-rescale ;berendsen tc-grps = Protein Non-Protein tau-t = .1 ref-t = 310 gen_vel = yes gen_temp = 310 gen_seed = 173529 Pcoupl = berendsen Pcoupltype = Isotropic tau-p = 1 compressibility = 4.5e-5 ref-p = 1 constraints = all-bonds constraint-algorithm = Lincs unconstrained-start = no Shake-SOR = no shake-tol = 1e-04 lincs-order = 4 lincs-warnangle = 30 morse = no -- 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
