(Tm3_Asph-Cis) Popc_512_Tm3_Asph_10_5Up_5Down_Nacl_150Mm_310K
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System description<br> -------------------<br> - Title: (TM3_ASPH-CIS) Simulation POPC_512_TM3_ASPH_10_5up_5down_NaCl_150mM_310K membrane - Description: Simulation of a POPC membrane containing ten LAPTM4B-TM3_ASPH peptides using charmm36 at 310K. (TM3 peptides have cis peptides bonds by mistake) - MD engine: gromacs 5.0.4 - Force field: charmm36 - Temperature: 310K - Simulation time: 2000ns - Saving frequency: 100ps - Molecular content:<br> TM3_ASPH 10<br> POPC 512<br> SOL 20480<br> NA 55<br> CL 55 - Other information:<br> * Membrane containing LAPTM4B TM3 peptides.<br> * ASP 202 is in protonated form<br> * 5 peptides pointing up/ 5 peptides pointing down - Problems<br> * By mistake some peptides bonds in TM3 are in CIS configuration
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Zenodo创建时间：
2018-03-22
