Gromacs
2016.6
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Classes | |
class | Rdf |
Implements gmx rdf trajectory analysis module. More... | |
class | RdfModuleData |
Temporary memory for use within a single-frame calculation. More... | |
Enumerations | |
enum | Normalization { Normalization_Rdf, Normalization_NumberDensity, Normalization_None } |
Normalization for the computed distribution. | |
enum | SurfaceType { SurfaceType_None, SurfaceType_Molecule, SurfaceType_Residue } |
Whether to compute RDF wrt. surface of the reference group. | |
Variables | |
const char *const | c_NormalizationEnum [] = { "rdf", "number_density", "none" } |
String values corresponding to Normalization. | |
const char *const | c_SurfaceEnum [] = { "no", "mol", "res" } |
String values corresponding to SurfaceType. | |