Gromacs
2019-beta3
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Functions | |
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 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. | |