(TM3_ASPH-CIS) POPC_512_TM3_ASPH_10_5up_5down_NaCl_150mM_310K
Creators
- 1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences
Description
System description
-------------------
- 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:
TM3_ASPH 10
POPC 512
SOL 20480
NA 55
CL 55
- Other information:
* Membrane containing LAPTM4B TM3 peptides.
* ASP 202 is in protonated form
* 5 peptides pointing up/ 5 peptides pointing down
- Problems
* By mistake some peptides bonds in TM3 are in CIS configuration
Files
README.txt
Files
(10.2 GB)
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