Add new lipid systems for Modeller.addMembrane()

The following lipid were added to the addMembrane() method: DLPC, DLPE, DMPC, DOPC, DPPC. Original pdb files were taken from http://www.fos.su.se/~sasha/SLipids/Downloads.html . Original files were obtained at temperatures between 293K and 303K. NPT MD simulations were run for all the systems at 298K for ~10 ns and the last simulation step was used to create the pdb files.

Add new lipid systems for Modeller.addMembrane()
The following lipid were added to the addMembrane() method: DLPC, DLPE, DMPC, DOPC, DPPC. Original pdb files were taken from http://www.fos.su.se/~sasha/SLipids/Downloads.html . Original files were obtained at temperatures between 293K and 303K. NPT MD simulations were run for all the systems at 298K for ~10 ns and the last simulation step was used to create the pdb files.
40cd5892 · Ennio Lavagnini · 340bf28a · 40cd5892 · 40cd5892 · 40cd5892
Commit 40cd5892 authored Dec 16, 2019 by Ennio Lavagnini
5 changed files
--- a/wrappers/python/simtk/openmm/app/data/DLPC.pdb
+++ b/wrappers/python/simtk/openmm/app/data/DLPC.pdb
--- a/wrappers/python/simtk/openmm/app/data/DLPE.pdb
+++ b/wrappers/python/simtk/openmm/app/data/DLPE.pdb
--- a/wrappers/python/simtk/openmm/app/data/DMPC.pdb
+++ b/wrappers/python/simtk/openmm/app/data/DMPC.pdb
--- a/wrappers/python/simtk/openmm/app/data/DOPC.pdb
+++ b/wrappers/python/simtk/openmm/app/data/DOPC.pdb
--- a/wrappers/python/simtk/openmm/app/data/DPPC.pdb
+++ b/wrappers/python/simtk/openmm/app/data/DPPC.pdb