diff --git a/Data/PAR_POPC-test.dat b/Data/PAR_POPC-test.dat new file mode 100644 index 0000000..0e596fa --- /dev/null +++ b/Data/PAR_POPC-test.dat @@ -0,0 +1,47 @@ +DATA_FILE: ./POPC_sub_logstep_3.dat +TITLE: POPC-test +SAVE_FOLDER: POPC-test +q_MIN(nm^-1): 0.05 +q_MAX(nm^-1): 7.0 +MODEL: SDP_POPC_RecBuf +TEMPERATURE(none=0): 500 +BINNING: 10 +ERROR(0..1): 1 +PLOT(0-1): 0 + +Name In.value (f/-) prior low & high limits + +Norm 1e5 f - 1e-2 1e+5 # Normalization +nv 8 - - 3 13 # Vesicle concencentration x10^6 (nm^-3) +# Vesicle's parameters +Rm 23 - - 20 28 # Radius of the vesicle (nm) +Z 6 - - 5.1 17 # Radius polydispersity +# Head-group Positions & Widths +n_TR 0.0 f - 0.00 0.14 # Tris fraction +d_TR 1.0 f - 0.4 1.6 # Tris width (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) +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) +s_PCN 0.25 - - 0.23 0.37 # PCN width (nm) +d_CG 0.22 - - 0.18 0.26 # CG position (nm) +s_CG 0.25 - - 0.23 0.37 # CG width (nm) +# Acyl chain Positions & Widths +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_CH2 0.244 - 0.05 0.183 0.305 # HC smearing (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_CH3 0.30 - - 0.23 0.37 # CH3 width (nm) +# Area & Volumes +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 +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 +T 37 f - 32 42 # Temperature (°C) +V_BW 0.030 - - 0.0288 0.0303 # Bound-water volume (nm³) +# +Con 2.2e-4 - - 0.7e-4 3.7e-4 # Constant (nm⁻¹) +#Dq 5e-4 f - 1e-12 1e-3 # + +# vim: ts=4 diff --git a/POPC_sub_logstep_3.dat b/POPC_sub_logstep_3.dat new file mode 100755 index 0000000..2570ce5 --- /dev/null +++ b/POPC_sub_logstep_3.dat @@ -0,0 +1,1165 @@ +0.0454444 55147.1 3431.276 +0.0456541618197275 54817.4623048813 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