[gmx-users] DIHEDRAL SCAN

Neha Gupta nehaphysics17 at gmail.com
Thu Jun 15 09:25:20 CEST 2017

Previous message: [gmx-users] RDF OF PROTEIN - LIGAND
Next message: [gmx-users] Errors during pull constrained NPT simulation for permeability calculations.
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Hi,

How to run potential energy surface scan for a molecule using gromacs?.

What are the steps?

Thanks,
Neha

Previous message: [gmx-users] RDF OF PROTEIN - LIGAND
Next message: [gmx-users] Errors during pull constrained NPT simulation for permeability calculations.
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the gromacs.org_gmx-users mailing list