; ; User spoel (236) ; Wed Nov 3 17:12:44 1993 ; Input file ; cpp = c:\progra~1\gromacs\bin\cpp.exe define = -DFLEX_SPC constraints = none integrator = steep nsteps = 100 ; ; Energy minimizing stuff ; emtol = 2000 emstep = 0.01 nstcomm = 1 ns_type = grid rlist = 1 rcoulomb = 1.0 rvdw = 1.0 Tcoupl = no Pcoupl = no gen_vel = no