[[Analysis]]
======Interdigitation Analysis======
Author: Eric Wang
Please email me at //ericzwang@gmail.com// if something isn't clear
This instruction is very similar to EDP because it relies on density profiles. I removed recentering from this analysis to save space. Add it in if you haven't done EDP.
Download Script: {{ ::interdig-script.tar.gz |}}\\
Download Example: {{ :interdig-ex.tar.gz |}}
=====Density Calcs=====
This section is nearly identical to EDP density calcs.
The recentered dcds are loaded in from the EDP section. One difference lies in the //getatomnd_1.inp// which selects for each leaflet.
sele resname @SEG .and. (type @TYP) .and. resid 1:100 end
Adjust ''resid 1:100'' for how many lipids per leaflet you have
Adjust in the bot directory as well
sele resname @SEG .and. (type @TYP) .and. resid 101:200 end
Also, I was using a FFA which is not in the library. In this case, I created my own *.cmp file and renamed it to *.cmp2. I then copied the .cmp2 file to .cmp and used it for density calcs.
=====Combine Densities=====
Go into thick* directories
Adjust 1_lipid_edp.scr for lipid type.
Run **1_lipid_edp.scr** and **2_comb.scr**
=====Calculate Interdigitation=====
Go to interdig directory
Adjust **inter.m** for how many lipid types you have. This file takes the densities, constructs overlap density, and integrates to get interdigitation parameter. The formula for overlap density can be found in //Das et al. Biophysical Journal 2009, 97 (7), 1941-1951.//
Type ''./inter.csh'' to run inter.m
The final parameters are in **int.dat** and the overlap profiles are in **profile.dat**