AmberTools

GPTKB entity

Statements (34)
Predicate Object
gptkbp:instanceOf gptkb:software
gptkbp:citation Case, D.A., et al. AmberTools Reference Manual (2023)
gptkbp:developedBy Amber development team
gptkbp:domain computational chemistry
gptkbp:firstReleased 2008
https://www.w3.org/2000/01/rdf-schema#label AmberTools
gptkbp:includes gptkb:Antechamber
gptkb:cpptraj
gptkb:tleap
reduce
sander
LEaP
MMPBSA.py
ParmEd
nmr restraints tools
pbsa
sqm
gptkbp:latestReleaseVersion 2023
gptkbp:license gptkb:GNU_General_Public_License
gptkbp:operatingSystem gptkb:Windows
gptkb:macOS
gptkb:Linux
gptkbp:programmingLanguage gptkb:Python
gptkb:Fortran
C
gptkbp:relatedTo AMBER (Assisted Model Building with Energy Refinement)
gptkbp:usedFor parameterization
molecular dynamics simulations
molecular mechanics
free energy calculations
structure preparation
gptkbp:website https://ambermd.org/AmberTools.php
gptkbp:bfsParent gptkb:AMBER_software
gptkbp:bfsLayer 8