;
;	Input file
;
title               =  Yo			; a string
cpp                 =  /lib/cpp			; c-preprocessor
dt                  =  0.002			; time step
nsteps              =  2000000                    ; number of steps
nstcomm             =  1			; reset c.o.m. motion
nstxout             =  1000			; write coords
nstvout             =  1000			; write velocities
nstlog		    =  100			; print to logfile
nstenergy           =  100			; print energies
nstlist             =  10			; update pairlist
nstxtcout           =  1000
ns_type             =  grid			; pairlist method
coulombtype         =  PME
rlist               =  1.00			; cut-off for ns
rvdw                =  1.00			; cut-off for vdw
rcoulomb            =  1.00			; cut-off for coulomb
Tcoupl              =  berendsen	        ; temperature coupling
ref_t		    =  298 			;298
tc-grps		    =  system   		;system
tau_t		    =  0.1  			;0.1
Pcoupl              =  berendsen                ; pressure bath
Pcoupltype          =  isotropic		; pressure geometry
tau_p               =  2.0 2.0 			; p-coupoling time
compressibility     =  4.5e-5 4.5e-5
ref_p               =  1.0  1.0
gen_vel             =  no 			; generate initial velocities
gen_temp            =  298			; initial temperature
gen_seed            =  19903			; random seed
integrator          =  md