[gmx-users] soft-core

[fancy2012]

Dear GMX users,
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!
Here is the mdp file:
cpp                 =  /lib/cpp
constraints         =  all-bonds
integrator          =  md
tinit               =  0.0
dt                  =  0.002    
nsteps              =  25000      
nstcomm             =  1
nstxout             =  10000
nstvout             =  0
nstfout             =  0
nstlog              =  500
nstenergy           =  250
nstxtcout           =  1000
xtc_precision       =  1000
xtc_grps            =  Protein 
nstlist             =  5
energygrps          =  Protein SOL
ns_type             =  grid
rlist               =  0.9
coulombtype         =  Reaction-Field
epsilon_r           =  78.0
rcoulomb            =  1.4
rvdw                =  1.4
Tcoupl              =  Berendsen
tc-grps             =  Protein SOL
ref_t               =  300 300
tau_t               =  0.1 0.1
Pcoupl              =  Berendsen
tau_p               =  1.0
compressibility     =  4.6e-5
ref_p               =  1.0
free_energy         =  yes
init_lambda         =  0.00
sc-alpha            =  1.51

All the best,
fancy
 
 
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