Performance of the general amber force field in modeling aqueous POPC membrane bilayers
The aim of this work was to answer the question of whether the general amber force field (GAFF) is food enough to simulate fully hydrated POPC membrane bilayers. The test system contained 128 POPC and 2985 TIP3P water molecules. The equilibration was carried out in a nonarbitrary manner to reach the...
Elmentve itt :
| Szerzők: | |
|---|---|
| Dokumentumtípus: | Cikk |
| Megjelent: |
2007
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| Sorozat: | JOURNAL OF COMPUTATIONAL CHEMISTRY
28 No. 12 |
| doi: | 10.1002/jcc.20748 |
| mtmt: | 1117226 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/11878 |