Statements (33)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
molecular dynamics software
|
| gptkbp:developedBy |
gptkb:David_A._Case
|
| gptkbp:firstReleased |
2004
|
| https://www.w3.org/2000/01/rdf-schema#label |
pmemd
|
| gptkbp:latestReleaseVersion |
part of AMBER 22 (2022)
|
| gptkbp:license |
proprietary
|
| gptkbp:optimizedFor |
parallel computing
|
| gptkbp:partOf |
AMBER software suite
|
| gptkbp:platform |
gptkb:Windows
gptkb:macOS gptkb:Linux |
| gptkbp:supports |
periodic boundary conditions
GPU acceleration free energy calculations CPU computation thermodynamic integration MPI parallelization NVIDIA CUDA GPUs OpenMP parallelization constant pressure simulations constant temperature simulations explicit solvent simulations implicit solvent simulations non-periodic boundary conditions |
| gptkbp:usedBy |
structural biologists
biophysicists computational chemists |
| gptkbp:usedFor |
molecular dynamics simulations
|
| gptkbp:usedIn |
biomolecular simulations
|
| gptkbp:website |
https://ambermd.org/pmemd.php
|
| gptkbp:writtenBy |
gptkb:Fortran
|
| gptkbp:bfsParent |
gptkb:AMBER_software
|
| gptkbp:bfsLayer |
8
|