Parveen Gartan

pga043

Theoretical and Computational Chemistry | Postdoctoral researcher

University of Bergen

Norway

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Repositories

6

pga043/CHARMM_scripts

CHARMM scripts for protein-ligand simulation setup, dynamics and analysis

Rich Text Format00Updated 2 weeks ago

charmmfree-energy-perturbationmolecular-dynamics-simulationnamdopls-aa

pga043/HPC_installation_guide

scripts/instructions to compile programs on a HPC

Shell00Updated 4 months ago

charmmhpcnamd3openmm

pga043/extract_physical_frames_msld

Extract physical frames from a lambda-dynamics trajectory

Rich Text Format00Updated 4 months ago

charmmlambda-dynamicsmultisite-lambda-dynamics

pga043/absolute-solvation-free-energy-charmm-pycharmm

This repository contains files to prepare small molecules paramters using cgenff, gaff2 and opls.

Rich Text Format00Updated 4 months ago

absolute-hydration-free-energybarbladecgenffcharmmdomdecfepmbarpycharmm

pga043/NAMD_scripts

No description provided.

Shell00Updated 5 months ago

pga043/tutorial-templateFork

Template for the Read the Docs tutorial

00Updated 1 year ago

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