<DIV>Dear GMX users,</DIV>
<DIV>when I generate the input file of MD simulation using grompp, I get this error: ERROR: The soft-core power is 0 and can only be 1 or 2. I don't know how to figure it out? Could somebody give me a hand? Thanks very much in advance!</DIV>
<DIV>Here is the mdp file:</DIV>
<DIV>cpp = /lib/cpp<BR>constraints = all-bonds<BR>integrator = md<BR>tinit = 0.0<BR>dt = 0.002 <BR>nsteps = 25000 <BR>nstcomm = 1<BR>nstxout = 10000<BR>nstvout = 0<BR>nstfout
= 0<BR>nstlog = 500<BR>nstenergy = 250<BR>nstxtcout = 1000<BR>xtc_precision = 1000<BR>xtc_grps = Protein <BR>nstlist = 5<BR>energygrps = Protein SOL<BR>ns_type = grid<BR>rlist = 0.9<BR>coulombtype = Reaction-Field<BR>epsilon_r
= 78.0<BR>rcoulomb = 1.4<BR>rvdw = 1.4<BR>Tcoupl = Berendsen<BR>tc-grps = Protein SOL<BR>ref_t = 300 300<BR>tau_t = 0.1 0.1<BR>Pcoupl = Berendsen<BR>tau_p = 1.0<BR>compressibility = 4.6e-5<BR>ref_p  
; = 1.0<BR>free_energy = yes<BR>init_lambda = 0.00<BR>sc-alpha = 1.51<BR></DIV>
<DIV>All the best,</DIV>
<DIV>fancy</DIV>
<DIV> </DIV>
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