coordinates = screw2.pdb

structure = screw2.psf

parameters = slide.par

#initial temp
temperature 100

#time and step 
timestep = 1
numsteps = 100000
stepspercycle = 20

exclude = scaled1-4
cutoff = 8.5

switchin = on
switchdist = 8.0

outputname = screwnada

binaryoutput = no

#restart files
restartname = ScrewNadaRestart
restartfreq = 50
binaryrestart = no

#trajectory file
DCDfile = screwnada.dcd
DCDfreq = 5

#rotating constraints
constraints = off

#consref = screwnada.pdb

#conskfile = screwnada.pdb

#conskcol = O

#rotConstraints = on

#rotConsAxis = 0 1 0

#rotConsPivot = 10.24 24 10.24

#rotConsVel = 0.01

#movingConstraints on

#movingConsVel = 0 -0.001 0

#temp couple control
#tCouple on
#tCoupleTemp 400

# thermostat quenching


#rescaleFreq 100

#rescaleTemp 150

#steered molecular dynamics
#SMD on

#SMDRefPos 10.24 24 10.24

#SMDAtom 1

#SMDk 1.0

#SMDVel 0.0000001

#SMDDir 0 1 0

#SMDOutputFreq 100

# Fix one atom of inner tube so that the tube stays put
#fixedAtoms on

#fixedAtomsFile screwsm1.pdb

#fixedAtomsCol O

#cellBasisVector1 0 17.42 0


