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input.mdp
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input.mdp
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; SYSTEM FLAGS
; ==========================================
tesselation = yes ; yes(default)/no
system = bilayer ; monolayer(default)/bilayer
procedure = 1 ; 1=testing, 2=stats (default), 3=line-tension.
clustering = 1 ; 1=Pz (Default), 2=m6, 3=Pz & m6
rcut_h = 2.20 ; Head beads cutoff raddi
rcut_t = 2.20 ; Tail cutoff raddi
rcut_vll = 0.66 ; Voronoi cutoff raddi lipid-lipid
rcut_vlp = 0.66 ; Voronoi cutoff lipid-protein bead
rcut_vpp = 0.66 ; Voronoi cutoff protein-protein beads
; CURVATURE FLAG0
; ==========================================
curvature = 3 ; 0=nothing(default), 1=midplane, 2=monolayer(s), 3=midplane and monolayer
geometry = 1 ; 1=Planar, 2=Polar, 3=spherical
filter-type = 1 ; 1=Binomial filter (default), 2=MEX wavelet shifted, 3=MEX wavelet
filter-width = 9 ; filter width
filter-shift = 0.01 ; Optional shift constant
filter-delta = 0.3 ; grid spacing for binomial filter, typically 0.6
; filter-nbin = 30 ; Number of bins for filttering
filter-opt = 0 ; Extra optional flag
; TRAYECTORY ANALYSES
; ==========================================
; frames = first last skip
frames = 1 5000 1
; LIPID GROUPS INFORMATION
; ==========================================
l-ngrps = 2 ; number of lipid groups, Default=2
l-grp1 = file
l-grp2 = file ; reads data from file l-grp1.dat etc
; PROTEINS
; ==========================================
p-grps = 4 ; Number of proteins in your system, Default=0
p-grp1 = P_1A
p-grp2 = P_2A
p-grp3 = P_3A
p-grp4 = P_4A
; Protein Definitions
; ------------------------------------------
; add the first and final BB residue for each
; protein in your system.
p1-Calpha = BB 1 678
p2-Calpha = BB 679 1356
p3-Calpha = BB 1357 2034
p4-Calpha = BB 2035 2712
enrich = 1
; ensity = 1
end