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retab parameter file

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Gaspard Jankowiak 2024-03-01 13:46:02 +01:00
parent 6d363c4883
commit b4624e6dd6
1 changed files with 7 additions and 7 deletions
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Data/PAR_POPC-test.dat
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@ -20,24 +20,24 @@ Z 6 - - 5.1 17 # Radius polydispersity
n_TR 0.0 f - 0.00 0.14 # Tris fraction n_TR 0.0 f - 0.00 0.14 # Tris fraction
d_TR 1.0 f - 0.4 1.6 # Tris width (nm) d_TR 1.0 f - 0.4 1.6 # Tris width (nm)
s_TR 0.29 f - 0.20 0.35 # Tris position (nm) s_TR 0.29 f - 0.20 0.35 # Tris position (nm)
d_Chol 0.22 - 0.05 0.164 0.273 # CholCH3 position (nm) d_Chol 0.22 - 0.05 0.164 0.273 # CholCH3 position (nm)
s_Chol 0.3 - 0.05 0.225 0.375 # CholCH3 width (nm) s_Chol 0.3 - 0.05 0.225 0.375 # CholCH3 width (nm)
d_PCN 0.41 - 0.05 0.308 0.512 # PCN position (nm) d_PCN 0.41 - 0.05 0.308 0.512 # PCN position (nm)
s_PCN 0.25 - - 0.23 0.37 # PCN width (nm) s_PCN 0.25 - - 0.23 0.37 # PCN width (nm)
d_CG 0.22 - - 0.18 0.26 # CG position (nm) d_CG 0.22 - - 0.18 0.26 # CG position (nm)
s_CG 0.25 - - 0.23 0.37 # CG width (nm) s_CG 0.25 - - 0.23 0.37 # CG width (nm)
# Acyl chain Positions & Widths # Acyl chain Positions & Widths
A_L 0.654 - 0.02 0.589 0.719 # Area per lipid (nm²) A_L 0.654 - 0.02 0.589 0.719 # Area per lipid (nm²)
s_D_C 0.08 - - 0.05 0.15 # HC excess std (nm) s_D_C 0.08 - - 0.05 0.15 # HC excess std (nm)
s_CH2 0.244 - 0.05 0.183 0.305 # HC smearing (nm) s_CH2 0.244 - 0.05 0.183 0.305 # HC smearing (nm)
d_CH 0.90 f - 0.5 0.95 # CH position (nm) d_CH 0.90 f - 0.5 0.95 # CH position (nm)
s_CH 0.305 f - 0.15 0.4 # CH width (nm) s_CH 0.305 f - 0.15 0.4 # CH width (nm)
s_CH3 0.30 - - 0.23 0.37 # CH3 width (nm) s_CH3 0.30 - - 0.23 0.37 # CH3 width (nm)
# Area & Volumes # Area & Volumes
r_PCN 0.27 - 0.05 0.203 0.338 # V_PCN/V_HL r_PCN 0.27 - 0.05 0.203 0.338 # V_PCN/V_HL
r_CG 0.48 - 0.05 0.360 0.600 # V_GG/V_HL r_CG 0.48 - 0.05 0.360 0.600 # V_GG/V_HL
r12 0.81 f - 0.770 0.851 # V_CH/V_CH2 r12 0.81 f - 0.770 0.851 # V_CH/V_CH2
r32 1.93 - 0.05 1.448 2.415 # V_CH3/V_CH2 r32 1.93 - 0.05 1.448 2.415 # V_CH3/V_CH2
T 37 f - 32 42 # Temperature (°C) T 37 f - 32 42 # Temperature (°C)
V_BW 0.030 - - 0.0288 0.0303 # Bound-water volume (nm³) V_BW 0.030 - - 0.0288 0.0303 # Bound-water volume (nm³)
# #