Re: [gmx-users] ion channel in lipid bilayer

2018-02-19 Thread Kroon, P.C.
True, insane is originally made for Martini, but I *think* it should work for atomistic as well. Otherwise, make the Martini system with insane, simulate for a short while, and then convert it to atomistic with backward.py. I don't have any experience with charmm-gui myself, so I can't help you

Re: [gmx-users] ion channel in lipid bilayer

2018-02-19 Thread alex rayevsky
Dear Peter, thank You for responce! I've already prepared toplogy file, here is a content: ; Include forcefield parameters #include "charmm36-jul2017.ff/forcefield.itp" #include "/home/dikov/alex/WORK/lipid/charmm36.itp" #include "LIG.itp" ; Include chain topologies #include

[gmx-users] ion channel in lipid bilayer

2018-02-16 Thread alex rayevsky
Hi all! I have a question concerning immersion of the ion channel (four subunits with extracellular domains and a bundles of helixes) into the lipid bilayer. 6 years ago I used some tutorial or mailing lists, which described the way from KALP15 tutor. With CCR5 model there were no problems at