Sökning: "OPLS-AA"
Hittade 1 uppsats innehållade ordet OPLS-AA.
1. Analys av Organiska Molekyler i Mikroskopiska Vattendroppar
Kandidat-uppsats, Uppsala universitet/Molekyl- och kondenserade materiens fysikSammanfattning : The aim of the study was to analyse where different organic molecules situated themselves in relation to the water surface of a water microdroplet and use the resulting data to compare three different forcefields in the simulation package GROMACS. The forcefields used were: General AMBER forcefield (GAFF), Optimized potentials for liquid simulations - all atoms (OPLS-AA), and CHARMM general force field (CGenFF). LÄS MER
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