(TM3-CIS) Simulation CER160_9_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K (rep3)
Creators
- 1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences
Description
System description
-------------------
- Title: (TM3-CIS) Simulation CER160_9_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K (rep3)
- Description: Simulation intake nine ceramides (CER16) to a POPC membrane containing ten LAPTM4B-TM3 peptides using charmm36 at 310K. (TM3 peptides have cis peptides bonds by mistake)
- MD engine: gromacs 5.1.2
- Force field: charmm36
- Temperature: 310K
- Simulation time: 5000ns
- Saving frequency: 100ps
- Molecular content:
TM3 10
POPC 512
CER160 9
SOL 34248
NA 102
CL 92
- Other information:
* Simulations containing 9 CER16 in the water phase initially.
* Membrane containing LAPTM4B TM3 peptides.
- Problems
* By mistake some peptides bonds in TM3 are in CIS configuration
Files
README.txt
Files
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