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roma ichenko
roma ichenko
5:28 AM
@B.Kelly Here it is:
; Run control
integrator = md
dt = 0.002
tinit = 0
nsteps = 2500000
comm-mode = Linear
nstcomm = 100

; Output control
nstxout = 10000
nstvout = 10000
nstfout = 10000
nstxout-compressed = 2500
nstlog = 500
nstcalcenergy = 500
nstenergy = 500

; Neighbor searching
cutoff-scheme = Verlet
nstlist = 20
ns-type = grid
pbc = xyz

; Electrostatics
coulombtype = PME
pme-order = 4
 
 
12 hours later…
Nike Dattani
Nike Dattani
5:39 PM
; Run control
integrator = md
dt = 0.002
tinit = 0
nsteps = 2500000
comm-mode = Linear
nstcomm = 100

; Output control
nstxout = 10000
nstvout = 10000
nstfout = 10000
nstxout-compressed = 2500
nstlog = 500
nstcalcenergy = 500
nstenergy = 500

; Neighbor searching
cutoff-scheme = Verlet
nstlist = 20
ns-type = grid
pbc = xyz

; Electrostatics
coulombtype = PME
pme-order = 4
fourierspacing = 0.10
rcoulomb = 1.2

; VdW
rvdw = 1.2
DispCorr = EnerPres

; Temperature coupling
tcoupl = nose-hoover
nhchainlength = 1
@romaichenko if you press CTRL+ENTER then click "fixed font", you can get your code to appear in code font. Another way is to add 4 spaces before each line (which is a bit more tedious).
 

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