Reading [ pairs ] section of gromacs topology #4787
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orbeckst
roshan2004
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Hi everyone, is it possible to read [ pairs ] section from the topology using MDAnalysis, just like bonds, angles and dihedrals? |
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Answered by
orbeckst
Nov 14, 2024
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No, we do not expose pairs. Have a look at the TPRParser — you may be able to hack it to also get this information. |
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roshan2004
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No, we do not expose pairs.
Have a look at the TPRParser — you may be able to hack it to also get this information.