outputname molec
numsteps  400
timestep   0.5 
stepspercycle   1

COMmotion	NO

coordinates	molec.coor
velocities	molec.vel
structure	molec.psf
parameters      molec.par

seed		234890

exclude		1-4

cutoff		6.5
switching	on
switchdist	4
pairlistdist	10.0
plMarginCheck	TRUE

FullDirect	on

sphericalBC	on 
sphericalBCcenter	0,0,0
sphericalBCr1	21
sphericalBCk1	1.0   
sphericalBCexp1	2

MTSAlgorithm	VERLETI

longsplitting	c1

restartname restart
restartfreq 10
restartsave yes