title: (TM3_D2A-CIS) Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K membrane (rep2)
author: Hector Martinez-Seara
description: System description ------------------- - Title: (TM3_D2A-CIS) Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K membrane (rep2) - Description: Simulation of a POPC membrane containing ten LAPTM4B-TM3_D2A peptides using charmm36 at 310K. (TM3_D2A peptides have cis peptides bonds by mistake) - MD engine: gromacs 2016.1 - Force field: charmm36 - Temperature: 310K - Simulation time: 1000ns - Saving frequency: 100ps - Molecular content: TM3_D2A           10 POPC             512 SOL            20470 NA                55 CL                55 - Other information:   * Membrane containing LAPTM4B TM3 peptides.   * The peptide presents the D202A mutation.   * 5 peptides pointing up/ 5 peptides pointing down.   - Problems   * By mistake some peptides bonds in TM3 are in CIS configuration