Molecular Dynamics trajectories Transprotein electropore formation
Authors/Creators
- 1. Department of Information Engineering, Electronics and Telecommunications, La Sapienza University, 00184, Rome, Italy
- 2. Centro Interdisciplinario de neurociencia de Valparaiso, Universidad de Valparaiso, 05101, Valparaiso, Chile
- 3. School of Chemical and Bioprocess Engineering, University College Dublin, Belfield, D4, Dublin, Ireland
Description
AQP4_MD.conf: NAMD example input file.
AQP_cw_pope_wi.pdb: coordinates of AQP4 tetramer embedded in an POPC bilayer fully solvated and neutralized.
AQP_cw_pope_wi.psf: topology of AQP4 tetramer embedded in an POPC bilayer fully solvated and neutralized.
par_all27_prot_lipid.prm: CHARMM parameter file.
z+.0.05va.5ns.dcd: Trajectory of electropore formation.
z+.stat_frame1600.0.02va.46ns.dcd: Trajectory of electropore stabilization (holding potential)
z+.stat_frame1700.0.02va.66ns.dcd: Trajectory of electropore stabilization (holding potential)
Naming Convention: field_direction.starting_frame.potential_value(in volts/A).simulated_time.dcd
To load any dcd file, load first the psf or pdb file in VMD.
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