title: (TM3-CIS) Simulation CER160_9_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K (rep2)
author: Hector Martinez-Seara
description: System description ------------------- - Title: (TM3-CIS) Simulation CER160_9_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K (rep2) - Description: Simulation intake nine ceramides (CER16) to a POPC membrane containing ten LAPTM4B-TM3 peptides using charmm36 at 310K. (TM3 peptides have cis peptides bonds by mistake) - MD engine: gromacs 5.0.5-dev-20150319-0bec922 - Force field: charmm36 - Temperature: 310K - Simulation time: 1000ns - Saving frequency: 100ps - Molecular content: TM3               10 POPC             512 CER160             9 SOL            34248 NA               102 CL                92 - Other information:   * Simulations containing 9 CER16 in the water phase initially.   * Membrane containing LAPTM4B TM3 peptides. - Problems   * By mistake some peptides bonds in TM3 are in CIS configuration