title: (TM3-CIS) Simulation POPC_512_TM3_10_5up_5down_NaCl_150mM_310K membrane
author: Hector Martinez-Seara
description: System description ------------------- - Title: (TM3-CIS) Simulation POPC_512_TM3_10_5up_5down_NaCl_150mM_310K membrane - Description: Simulation of a POPC membrane containing ten LAPTM4B-TM3 peptides using charmm36 at 310K. (TM3 peptides have cis peptides bonds by mistake) - MD engine: gromacs 5.0.4 - Force field: charmm36 - Temperature: 310K - Simulation time: 2000ns - Saving frequency: 100ps - Molecular content: TM3               10 POPC             512 SOL            20470 NA                65 CL                55 - Other information:   * Membrane containing LAPTM4B TM3 peptides.   * 5 peptides pointing up/ 5 peptides pointing down - Problems   * By mistake some peptides bonds in TM3 are in CIS configuration