(Tm3_D2A-Cis) Simulation Popc_512_Tm3_D2A_10_5Up_5Down_Nacl_150Mm_310K Membrane (Rep1)

<strong>Title</strong>: (TM3_D2A-CIS) Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K membrane (rep1) <strong>Description</strong>: Simulation of a POPC membrane containing ten LAPTM4B-TM3_D2A peptides using charmm36 at 310K. (TM3_D2A peptides have cis peptides bonds by mistake) <strong>MD engine</strong>: gromacs 2016.1 <strong>Force field</strong>: charmm36 <strong>Temperature</strong>: 310K <strong>Simulation time</strong>: 1000ns <strong>Saving frequency</strong>: 100ps <strong>Molecular content</strong>:<br> TM3_D2A 10<br> POPC 512<br> SOL 20470<br> NA 55<br> CL 55 <strong>Other information</strong>:<br> * Membrane containing LAPTM4B TM3 peptides.<br> * The peptide presents the D202A mutation.<br> * 5 peptides pointing up/ 5 peptides pointing down.<br> <br> - Problems<br> * By mistake some peptides bonds in TM3 are in CIS configuration