Gromacs
2020.5
|
![]() ![]() | Generic GROMACS namespace |
![]() ![]() | Object that allows looping over all atoms in an mtop |
![]() ![]() | Holds all the atom property information loaded |
![]() ![]() | Proxy object returned from AtomIterator |
![]() ![]() | Range over all atoms of topology |
![]() ![]() | Header explaining the context of a checkpoint file |
![]() ![]() | Free-energy sampling history struct |
![]() ![]() | Stores a single index group |
![]() ![]() | Data structure for calculating index group mappings |
![]() ![]() | Stores a set of positions together with their origins |
![]() ![]() | Struct that holds all force field parameters for the simulated system |
![]() ![]() | Information about GPU devices on this physical node |
![]() ![]() | The fully written out topology for a domain over its lifetime |
![]() ![]() | Block of molecules of the same type, used in gmx_mtop_t |
![]() ![]() | Molecules type data: atoms, interactions and exclusions |
![]() ![]() | Sparse matrix storage format |
![]() ![]() | Type for returning a list of InteractionList references |
![]() ![]() | Indices for a gmx_molblock_t, derived from other gmx_mtop_t contents |
![]() ![]() | Contains the partly deserialized contents of a TPR file |
![]() ![]() | Compact and ordered version of the PBC matrix |
![]() ![]() | Wrapper around proxy object to implement operator-> |
![]() ![]() | Contains the simulation atom groups |
![]() ![]() | File name option definition for C code |
![]() ![]() | Maps an XPM element to an RGB color and a string description |
![]() ![]() | A matrix of integers, plus supporting values, such as used in XPM output |
![]() ![]() | Declares mdatom data structure |
![]() ![]() | Command-line argument definition for C code |
![]() ![]() | Structure containing info on periodic boundary conditions |
![]() ![]() | The microstate of the system |
![]() ![]() | Models an XPM element |