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