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About The PDynamo Program For Molecular Simulations Using
The pDynamo program is a successor to the fDynamo program for performing molecular simulations using hybrid quantum chemical and molecular mechanical potentials. pDynamo is written in Python and C and has similar capabilities to fDynamo such as geometry optimization, reaction path determination, molecular dynamics simulations, and calculating potential energies using QC, MM, and hybrid QC/MM methods. New features of pDynamo include a density functional theory QC method, additional semiempirical methods and force fields, and improved handling of molecular data formats.
Detailed Information
| Author: | ['Andrés Salazar'] |
|---|---|
| Publication Year: | 2015 |
| Pages: | 11 |
| Language: | English |
| Format: | |
| Price: | FREE |
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