Published January 19, 2015
| Version v1
Dataset
Open
MD simulation trajectory for POPC/50% Chol bilayer (CHARMM36, Gromacs 4.5)
Description
Equilibrated POPC/50%CHL lipid bilayer ran with Gromacs 4.5 with CHARMM36 lipid forcefield.
The simulation is composed of 80 POPC/80 Cholesterol at full hydratation and ran for 200ns at 303K, data saved every 20ps.
All input parameters can be find on the github repository: https://github.com/NMRLipids/nmrlipids.blogspot.fi
This data is used in the project "Matching lipid force fields with NMR data". More information at : http://nmrlipids.blogspot.fi/