Gromacs  2023.1
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Files
Interactions between lists of particles
+ Collaboration diagram for Interactions between lists of particles:

Description

Handles computing energies and forces for listed interactions.

Located here is the code for

Author
Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m
Berk Hess hess@.nosp@m.kth..nosp@m.se

Files

file  bonded.h
 This file contains declarations necessary for low-level functions for computing energies and forces for bonded interactions.
 
file  disre.h
 Declares functions for handling distance restraints.
 
file  listed_forces.h
 This file contains declarations of high-level functions used by mdrun to compute energies and forces for listed interactions.
 
file  listed_forces_gpu.h
 This file contains declarations of high-level functions used by mdrun to compute energies and forces for listed interactions.
 
file  orires.h
 Declares functions for handling orientation restraints.
 
file  pairs.h
 This file declares functions for "pair" interactions (i.e. listed non-bonded interactions, e.g. 1-4 interactions)
 
file  position_restraints.h
 This file contains declarations necessary for low-level functions for computing energies and forces for position restraints.