| 171 |
325 |
500100 |
60.53 |
N/A |
0.368 |
|
gromacs |
CHARMM36 (center of mass removed independently for upper leaflet, lower leaflet and water+ions) |
DPPC |
-
|
1
|
View
|
| 172 |
310.15 |
800100 |
51.17 |
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
|
| 173 |
303 |
100010 |
57.76 |
N/A |
N/A |
|
gromacs |
Berger |
POPE |
-
|
No
|
View
|
| 174 |
313 |
300020 |
64.42 |
N/A |
N/A |
|
gromacs |
ECC-lipids |
POPC |
POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA, POT, CLA |
No
|
View
|
| 175 |
318 |
50005 |
55.04 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
DPPC |
-
|
No
|
View
|
| 176 |
310.15 |
2000100 |
49.43 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
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
|
| 177 |
298 |
975020 |
59.47 |
N/A |
N/A |
|
gromacs |
Lipid17 and Dang 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
|
| 178 |
298 |
300020 |
62.47 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
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
|
| 179 |
298 |
200100 |
55.99 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
POPG, 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
|
| 180 |
298 |
300020 |
62.92 |
N/A |
N/A |
|
gromacs |
CHARMM36 |
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
|
| 181 |
303 |
120010 |
58.44 |
N/A |
N/A |
|
gromacs |
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
|
| 182 |
298 |
200020 |
53.21 |
N/A |
N/A |
|
gromacs |
Lipid17 |
POPG, 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
|
| 183 |
310 |
2100020 |
59.92 |
N/A |
N/A |
|
gromacs |
Lipid17 |
SDPE, DOG |
-
|
No
|
View
|
| 184 |
310 |
50020 |
60.66 |
N/A |
N/A |
|
gromacs |
Berger |
POPS, POPC |
CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA, CES, CLA |
No
|
View
|
| 185 |
323 |
230010 |
58.55 |
N/A |
N/A |
|
gromacs |
Berger with DMTAP modification by Gurtovenko et al. |
DMPC, DMTAP |
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
|