(TM3_D2A-CIS) Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K membrane (rep1)

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