Differences
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| Both sides previous revision Previous revision | Next revisionBoth sides next revision | ||
| doku:gromacs [2023/11/23 11:50] – +links msiegel | doku:gromacs [2023/11/23 11:51] – msiegel | ||
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| benchmark various scenarios: | benchmark various scenarios: | ||
| - | - a VSC users test case (50,897 atoms) | ||
| - R-143a in hexane (20,248 atoms) with very high output rate | - R-143a in hexane (20,248 atoms) with very high output rate | ||
| - a short RNA piece with explicit water (31,889 atoms) | - a short RNA piece with explicit water (31,889 atoms) | ||
| - a protein inside a membrane surrounded by explicit water (80,289 atoms) | - a protein inside a membrane surrounded by explicit water (80,289 atoms) | ||
| + | - a VSC users test case (50,897 atoms) | ||
| - a protein in explicit water (170,320 atoms) | - a protein in explicit water (170,320 atoms) | ||
| - a protein membrane channel with explicit water (615,924 atoms) | - a protein membrane channel with explicit water (615,924 atoms) | ||