Simulation CER160_50_POPC_512_NaCl_150mM_310K (rep1) - 10ps trajectory (Part1)

2020-01-19T01:18:07Z (GMT) by Hector Martinez-Seara

Title publication: A Ceramide-Regulated Element in the Late Endosomal Protein LAPTM4B Controls Amino Acid Transporter Interaction

Year publication: 2018

DOI publication: XXXXX

Description: Simulation POPC membrane containing ~8% ceramide (CER160) using charmm36 at 310K.

Contains Part 1 (0-500 ns) of the trajectory in  https://zenodo.org/deposit/1219494 with saving a frequency 10 ps.

MD engine: Gromacs 2016.2-dev-20170105-4feb0be

Force field: charmm36

Temperature: 310 K

Pressure: 1 bar

Simulation time: 1069 ns

Saving frequency: 10 ps

Molecular content:
POPC        512
CER160      50
SOL      28100
NA              75
CL              75