diff --git a/Figs/HGorderparametersPE.pdf b/Figs/HGorderparametersPE.pdf index 77e8ac8e..127cc3d5 100644 Binary files a/Figs/HGorderparametersPE.pdf and b/Figs/HGorderparametersPE.pdf differ diff --git a/Figs/HGorderparametersPG.pdf b/Figs/HGorderparametersPG.pdf index b2f47770..966b2d73 100644 Binary files a/Figs/HGorderparametersPG.pdf and b/Figs/HGorderparametersPG.pdf differ diff --git a/Figs/scripts/plotOrderParametersPE.gpl b/Figs/scripts/plotOrderParametersPE.gpl index 60407a7a..a80195a0 100644 --- a/Figs/scripts/plotOrderParametersPE.gpl +++ b/Figs/scripts/plotOrderParametersPE.gpl @@ -113,7 +113,7 @@ dxL17pJ = 7*d # DROSS = Dipolar Recoupling On-axis with Scaling and Shape preservation # R-PDLF = R-type Proton Detected Local Field -plot [0.5:5.5][0.15:-0.30] \ +plot [0.5:5.5][0.2:-0.30] \ horizLines(' ../../../MATCH/Data/Lipid_Bilayers/POPE/T310K/Headgroup_Glycerol_Order_Parameters_Experiments.dat') \ u ($1):(($2)) w l ls 8 lc rgb "#5F5F5F" lw 6.5 t "POPE 310K experiment", \ horizLines(' ../../../MATCH/Data/Lipid_Bilayers/POPE/T310K/Headgroup_Glycerol_Order_Parameters_Experiments.dat') \ diff --git a/Figs/scripts/plotOrderParametersPG.gpl b/Figs/scripts/plotOrderParametersPG.gpl index ead16fd5..32e2f0b9 100644 --- a/Figs/scripts/plotOrderParametersPG.gpl +++ b/Figs/scripts/plotOrderParametersPG.gpl @@ -113,7 +113,7 @@ dxL17pJ = 7*d # DROSS = Dipolar Recoupling On-axis with Scaling and Shape preservation # R-PDLF = R-type Proton Detected Local Field -plot [0.5:5.5][0.15:-0.30] \ +plot [0.5:5.5][0.2:-0.30] \ horizLines(' ../../../MATCH/Data/Lipid_Bilayers/POPG/T298K/Headgroup_Glycerol_Order_Parameters_Experiments2.dat') \ u ($1):(($2)) w l ls 8 lc rgb "#5F5F5F" lw 6.5 t "POPG 298K ^{13}C experiment", \ horizLines(' ../../../MATCH/Data/Lipid_Bilayers/POPG/T298K/Headgroup_Glycerol_Order_Parameters_Experiments2.dat') \ @@ -132,6 +132,8 @@ plot [0.5:5.5][0.15:-0.30] \ u ($1):($2) lt CHARMM pt 7 ps r t 'POPG T310K + 150mM NaCl CHARMM36',\ "../../../MATCH/Data/Lipid_Bilayers/POPG+150mNaCl/T310K/MODEL_LIPID17_500lipids/Headgroup_Glycerol_Order_Parameters_Simulation.dat" \ u ($1):($2) lt Lipd17 pt 7 ps r t 'POPG T310K + 150mM NaCl LIPID17',\ + "../../../MATCH/Data/Lipid_Bilayers/POPG+150mNaCl/T310K/MODEL_GROMOS-CKP/OrdParmPOPGforplot.dat" \ + u ($1):($2):($4) w ye lt CKP_QK pt 6 ps r t 'POPG T310K+150mM NaCl CKP', \ horizLines(' ../../../MATCH/Data/Lipid_Bilayers/DPPG/T314K/Headgroup_Glycerol_Order_Parameters_Experiments.dat') \ u ($1):($2*0.00784) w l ls 4 dt 2 lc rgb "#5F5F5F" lw 3 t "DPPG 314K experiment", \ horizLines(' ../../../MATCH/Data/Lipid_Bilayers/DPPG/T314K/Headgroup_Glycerol_Order_Parameters_Experiments.dat') \ @@ -154,8 +156,6 @@ plot [0.5:5.5][0.15:-0.30] \ # u ($1+dxC36pK):($2):($3):($4) w ye lt CHARMM pt 6 ps r t 'POPS CHARMM36 K^+',\ # "../../../MATCH/Data/Lipid_Bilayers/POPS/T298K/MODEL_CHARMM36UA/head-glyc-OPs_ave_min_max.dat" \ # u ($1+dxCUApo):($2):($3):($4) w ye lt C36_UA pt 6 ps r t 'POPS CHARMM36-UA',\ -# "../../../MATCH/Data/Lipid_Bilayers/POPS/T298K/MODEL_GROMOS-CKP2/head-glyc-OPs_ave_min_max.dat" \ -# u ($1+dxCKPp2):($2):($3):($4) w ye lt CKP_QK pt 6 ps r t 'POPS CKP', \ # "../../../MATCH/Data/Lipid_Bilayers/POPS/T298K/MODEL_GROMOS-CKP1/head-glyc-OPs_ave_min_max.dat" \ # u ($1+dxCKPpo):($2):($3):($4) w ye lt CKP_QB pt 6 ps r t 'POPS CKPM', \ # "../../../MATCH/Data/Lipid_Bilayers/POPS/T298K/MODEL_MACROG/head-glyc-OPs_ave_min_max.dat" \ diff --git a/Manuscript/manuscriptPGPE.pdf b/Manuscript/manuscriptPGPE.pdf index cc9c647d..43cdd623 100644 Binary files a/Manuscript/manuscriptPGPE.pdf and b/Manuscript/manuscriptPGPE.pdf differ