| 353 |
310.15 |
100100 |
59.53 |
N/A |
N/A |
|
gromacs |
CHARMM36 with ECC-scaled ions |
POPC |
CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA |
No
|
View
|
| 352 |
310 |
100025 |
63.32 |
0.3161 |
0.9529 |
|
gromacs |
CHARMM36-UA |
POPE |
-
|
3
|
View
|
| 351 |
310.15 |
352300 |
59.37 |
N/A |
N/A |
|
gromacs |
ECC-CHARMM36 |
POPC |
CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD |
No
|
View
|
| 350 |
313 |
300000 |
62.02 |
N/A |
N/A |
|
gromacs |
ECC-lipids |
POPC |
CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA |
No
|
View
|
| 349 |
313 |
100005 |
60.77 |
N/A |
N/A |
|
gromacs |
GROMOS 43A1-S3 |
POPE |
-
|
No
|
View
|
| 348 |
310 |
100010 |
60.63 |
N/A |
N/A |
|
gromacs |
GROMOS-CKP |
POPE, POPG |
SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA |
No
|
View
|
| 347 |
313 |
133220 |
61.76 |
N/A |
N/A |
|
gromacs |
ECC-lipids |
POPC |
CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA |
No
|
View
|
| 346 |
310 |
200100 |
67.79 |
N/A |
N/A |
|
gromacs |
Slipids for lipids and Smith & Dang for ions |
DOPC |
SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA |
No
|
View
|
| 345 |
310.15 |
500100 |
58.91 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
CHOL, POPC |
-
|
No
|
View
|
| 344 |
310 |
40010 |
67.86 |
N/A |
N/A |
|
gromacs |
Berger |
POPC |
-
|
No
|
View
|
| 343 |
323 |
120020 |
66.39 |
N/A |
N/A |
|
gromacs |
OPLSAA-compatible Berger-DPPC-06 |
DPPC |
SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA |
No
|
View
|
| 342 |
338 |
500100 |
61.32 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
DSPC |
CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD, CLA, SOD |
No
|
View
|
| 341 |
310 |
100010 |
63.96 |
N/A |
N/A |
|
gromacs |
CHARMM36 and CHARMM TIP3P |
POPG, POPC |
SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD |
No
|
View
|
| 340 |
298 |
955680 |
66.35 |
N/A |
N/A |
|
gromacs |
ECC-lipids, SPC water model, ECC-ions |
POPS |
POT, POT, POT, POT, POT, POT, POT, POT, POT, POT, POT, POT, POT, POT, POT, POT, POT |
No
|
View
|
| 339 |
310 |
2000100 |
54.73 |
N/A |
N/A |
|
gromacs |
Slipids with default Amber ions parameters (type C0) |
CHOL, POPC |
CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA, CAL, CLA |
No
|
View
|