| 248 |
310 |
500100 |
64.95 |
N/A |
N/A |
|
gromacs |
CHARMM36 (center of mass removed independently for upper leaflet, lower leaflet and water+ions) |
POPC |
-
|
No
|
View
|
| 249 |
310 |
500100 |
42.33 |
N/A |
N/A |
|
gromacs |
Slipids |
CHOL, POPC |
-
|
No
|
View
|
| 250 |
303 |
1200010 |
43.31 |
N/A |
N/A |
|
gromacs |
Slipids |
CHOL, POPC |
-
|
No
|
View
|
| 251 |
310 |
1000100 |
67.05 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
CHOL, DDOPC, DOPC |
-
|
No
|
View
|
| 252 |
310.15 |
800100 |
47.43 |
N/A |
N/A |
|
gromacs |
CHARMM36 with incorrect multiplicity in dihedrals and ECC ions |
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
|
| 253 |
298 |
300020 |
58.79 |
N/A |
N/A |
|
gromacs |
lipid17ecc |
POPG, POPC |
CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD, CLA, CAL, SOD |
No
|
View
|
| 254 |
333.15 |
1001000 |
62.37 |
N/A |
0.2253 |
|
gromacs |
CHARMM36 |
DPPC |
-
|
2
|
View
|
| 255 |
358 |
25005 |
66.34 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
DPPC |
-
|
No
|
View
|
| 256 |
310 |
1000100 |
54.77 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
CHOL, DAPC |
-
|
No
|
View
|
| 257 |
303 |
4000 |
67.11 |
N/A |
N/A |
|
openMM |
Charmm-Drude polarizable; system has been equilibriated using Charmm36 |
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
|
| 258 |
303 |
100050 |
66.21 |
N/A |
N/A |
|
gromacs |
GROMOS-CKP, GROMOS NH3 charges and PME |
DOPS |
SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD |
No
|
View
|
| 260 |
298 |
1327960 |
59.89 |
N/A |
N/A |
|
gromacs |
ECC-lipids, SPC/E water model, ECC-ions |
POPS, POPC |
CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD, CAL, CLA, SOD |
No
|
View
|
| 261 |
310 |
100010 |
64.41 |
N/A |
N/A |
|
gromacs |
GROMOS-CKP |
POPC |
-
|
No
|
View
|
| 263 |
298 |
100050 |
54.19 |
0.1621 |
0.7549 |
|
gromacs |
CHARMM36-UA |
POPS |
SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD, SOD |
5
|
View
|
| 264 |
271 |
200010 |
55.26 |
N/A |
N/A |
|
gromacs |
Berger-DOPE-2018 |
DOPE |
-
|
No
|
View
|