330.0350330350.091filenamep5-ligand-correct.mmldate1228151949000url/Users/freichsman/Documents/Projects/Concord/activities/proteins-III/proteins-III-live/p5-ligand-correct.mmlsize133876codebase/Users/freichsman/Documents/Projects/Concord/activities/proteins-III/proteins-III-livecontrol the temperature of the two types of particles.20Two-part heat bathshow selectionhalo off;
select element 0;
set kelvin 2000;
select element 1;
set kelvin 300;
select element none;
show selectionhalo on;
if(%model_time < 100);
select element 2;
set kelvin 1000*rand();
select element none;
endif;
Search one ligand that enters the binding pocket and cause it to bind.20Binderset %i nearesttoatom(2, 2, 8);
if(%i!=-1);
set atom[%i].charge -0.5;
endif;3.0None140.02class org.concord.mw2d.models.Atom210140.0-14.090.0membraneBkgStretched2.gif2550255255membraneOnly.gif116.6708648973761981.2299563991263085pgk-charged-2.gif2.1190319E-412-6.04391642313001440.280243239206385pgk-ligand-charged2.gif3.13738084class org.concord.mw2d.models.RadialBond13-1.134464162.0246.5pgk-ligand-charged2.gif1.561497412class org.concord.mw2d.models.RadialBond14-1.134464292.0148.5pgk-ligand-charged2.gif1.097066520class org.concord.mw2d.models.RadialBond15-1.134464193.6512816017488537.83835679291606pgk-ligand-charged2.gif1.349221728class org.concord.mw2d.models.RadialBond16-1.134464136.04.5pgk-ligand-charged2.gif-0.186342336class org.concord.mw2d.models.RadialBond17-1.134464285.0234.5pgk-ligand-charged2.gif2.923546844class org.concord.mw2d.models.RadialBond18-1.134464228.4739023911393171.54631798556625pgk-ligand-charged2.gif-0.05927653652class org.concord.mw2d.models.RadialBond19-1.134464136.26306619006516127.30073555116041pgk-ligand-charged2.gif2.433054760class org.concord.mw2d.models.RadialBond110-1.134464296.05.5pgk-ligand-charged2.gif0.855138868class org.concord.mw2d.models.RadialBond111-1.13446484.0258.5pgk-ligand-charged2.gif0.997175576class 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