Gromacs
2025-dev-20240812-545ca5b
|
Classes | |
class | UpdateGroupsTest |
Test fixture class. More... | |
Functions | |
gmx_moltype_t | flexibleEthaneUA () |
Returns a flexible ethane united-atom molecule. | |
gmx_moltype_t | ethaneUA () |
Returns an ethane united-atom molecule. | |
gmx_moltype_t | methane () |
Returns a methane molecule. | |
gmx_moltype_t | ethane () |
Returns an ethane molecule. | |
gmx_moltype_t | butaneUA () |
Returns a butane fully-constrained united-atom molecule. | |
gmx_moltype_t | waterThreeSite () |
Returns a three-site water molecule. | |
gmx_moltype_t | waterFourSite () |
Returns a four-site water molecule with virtual site. | |
gmx_moltype_t | waterFlexAngle () |
Returns a water molecule with flexible angle. | |