47 lines
1.7 KiB
Text
47 lines
1.7 KiB
Text
DATA_FILE: ./POPC_sub_logstep_3.dat
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TITLE: POPC-test
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SAVE_FOLDER: POPC-test
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q_MIN(nm^-1): 0.05
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q_MAX(nm^-1): 7.0
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MODEL: SDP_POPC_RecBuf
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TEMPERATURE(none=0): 500
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BINNING: 10
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ERROR(0..1): 1
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PLOT(0-1): 0
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Name In.value (f/-) prior low & high limits
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Norm 1e5 f - 1e-2 1e+5 # Normalization
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nv 8 - - 3 13 # Vesicle concencentration x10^6 (nm^-3)
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# Vesicle's parameters
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Rm 23 - - 20 28 # Radius of the vesicle (nm)
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Z 6 - - 5.1 17 # Radius polydispersity
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# Head-group Positions & Widths
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n_TR 0.0 f - 0.00 0.14 # Tris fraction
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d_TR 1.0 f - 0.4 1.6 # Tris width (nm)
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s_TR 0.29 f - 0.20 0.35 # Tris position (nm)
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d_Chol 0.22 - 0.05 0.164 0.273 # CholCH3 position (nm)
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s_Chol 0.3 - 0.05 0.225 0.375 # CholCH3 width (nm)
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d_PCN 0.41 - 0.05 0.308 0.512 # PCN position (nm)
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s_PCN 0.25 - - 0.23 0.37 # PCN width (nm)
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d_CG 0.22 - - 0.18 0.26 # CG position (nm)
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s_CG 0.25 - - 0.23 0.37 # CG width (nm)
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# Acyl chain Positions & Widths
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A_L 0.654 - 0.02 0.589 0.719 # Area per lipid (nm²)
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s_D_C 0.08 - - 0.05 0.15 # HC excess std (nm)
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s_CH2 0.244 - 0.05 0.183 0.305 # HC smearing (nm)
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d_CH 0.90 f - 0.5 0.95 # CH position (nm)
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s_CH 0.305 f - 0.15 0.4 # CH width (nm)
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s_CH3 0.30 - - 0.23 0.37 # CH3 width (nm)
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# Area & Volumes
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r_PCN 0.27 - 0.05 0.203 0.338 # V_PCN/V_HL
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r_CG 0.48 - 0.05 0.360 0.600 # V_GG/V_HL
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r12 0.81 f - 0.770 0.851 # V_CH/V_CH2
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r32 1.93 - 0.05 1.448 2.415 # V_CH3/V_CH2
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T 37 f - 32 42 # Temperature (°C)
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V_BW 0.030 - - 0.0288 0.0303 # Bound-water volume (nm³)
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#
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Con 2.2e-4 - - 0.7e-4 3.7e-4 # Constant (nm⁻¹)
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#Dq 5e-4 f - 1e-12 1e-3 #
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# vim: ts=4
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