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Merge pull request #83 from raimis/update_link
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Update the benchmark link
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Raimondas Galvelis authored Nov 9, 2021
2 parents be9534a + 321ebd5 commit a9c8e2c
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5 changes: 4 additions & 1 deletion components/benchmarks.vue
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<v-card>
<v-card-title>Dihydrofolate Reductase (DHFR)</v-card-title>
<v-card-text class="text-justify">
OpenMM was benchmarked on the dihydrofolate reductase (DHFR) models taken from the <a href="http://ambermd.org/amber10.bench1.html" target="blank">Joint Amber/Charmm</a> benchmark. This is a 159 residue protein with 2489 atoms. The version used for explicit solvent simulations included 7023 TIP3P water molecules, giving a total of 23,558 atoms. All simulations used the AMBER99SB force field and a Langevin integrator, and were run with OpenMM 7.4.
OpenMM was benchmarked on the dihydrofolate reductase (DHFR) models taken from the <a href="https://ambermd.org/GPUPerformance.php" target="blank">Joint Amber/Charmm</a> benchmark.
This is a 159 residue protein with 2489 atoms.
The version used for explicit solvent simulations included 7023 TIP3P water molecules, giving a total of 23,558 atoms.
All simulations used the AMBER99SB force field and a Langevin integrator, and were run with OpenMM 7.4.
<v-expansion-panels class="pt-3" focusable>
<v-expansion-panel>
<v-expansion-panel-header class="text--secondary">
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