;
;	User spoel (236) 
;	Wed Nov  3 17:12:44 1993
;	Input file
;
;       User Yang Ye (100)
;       Wed Mar 30 20:44:56 2005
;       Template EM Input File 

; VARIOUS PREPROCESSING OPTIONS = 
title                    = leaf_em_sys
cpp                      = /lib/cpp -traditional-cpp
include                  = none
define                  =
constraints 		 = none ;h-bonds
lincs_iter		 = 4

; RUN CONTROL PARAMETERS = 
integrator               = steep

tinit                    = 0
dt                       = 0.001	; ps
nsteps                   = 6000

nstxtcout				= 100     ; pos to xtc file

nstlist					= 5
ns_type					= grid
rlist						= 1.0
coulombtype				= PME
rcoulomb					= 1.0
vdw-type					= Cut-off
rvdw						= 1.0
fourierspacing			= 0.095	; default to 0.12
fourier_nx				= 0
fourier_ny				= 0
fourier_nz				= 0
pme_order				= 4
ewald_rtol				= 1e-5
optimize_fft			= yes

; ENERGY MINIMIZATION OPTIONS = 
emtol						= 100.0	; default to 100
emstep					= 0.02		; default to 0.01
nstcgsteep				= 1000