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distance_to_bilayer

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distance_to_bilayer [2021/08/31 18:42] – editdistance_to_bilayer [2021/08/31 18:53] (current) – edit
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-For the EDP method of position determination +For the EDP method of position determination follow the regular EDP process and then develop a .cmp file that selects the specific atom names that are needed to be measured. A separate row for each group that needs to be labled. Follow the templates of the lipids generated in the EDP process. 
  
  
 +Finally, use MATLAB and the code below to do the integral. Where the neg is for negative Z positions and the pos is for the positive Z from (0:end)
  
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 trapz(z_control_neg,dmps_control_phos_neg.*z_control_neg)/trapz(z_control_neg,dmps_control_phos_neg) trapz(z_control_neg,dmps_control_phos_neg.*z_control_neg)/trapz(z_control_neg,dmps_control_phos_neg)
 trapz(z_control_pos,dmps_control_phos_pos.*z_control_pos)/trapz(z_control_pos,dmps_control_phos_pos) trapz(z_control_pos,dmps_control_phos_pos.*z_control_pos)/trapz(z_control_pos,dmps_control_phos_pos)
- 
- 
-trapz(z_1_neg,dmps_1_phos_neg.*z_1_neg)/trapz(z_1_neg,dmps_1_phos_neg) 
-trapz(z_1_pos,dmps_1_phos_pos.*z_1_pos)/trapz(z_1_pos,dmps_1_phos_pos) 
- 
-trapz(z_2_neg,dmps_2_phos_neg.*z_2_neg)/trapz(z_2_neg,dmps_2_phos_neg) 
-trapz(z_2_pos,dmps_2_phos_pos.*z_2_pos)/trapz(z_2_pos,dmps_2_phos_pos) 
- 
-trapz(z_3_neg,dmps_3_phos_neg.*z_3_neg)/trapz(z_3_neg,dmps_3_phos_neg) 
-trapz(z_3_pos,dmps_3_phos_pos.*z_3_pos)/trapz(z_3_pos,dmps_3_phos_pos) 
  
 ] ]
distance_to_bilayer.1630449769.txt.gz · Last modified: 2021/08/31 18:42 by edit