GMS (Gamess trajectory)¶
Coordinate reader |
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Topology parser |
The GMS output format is a common output format for different GAMESS distributions: GAMESS-US, Firefly (PC-GAMESS) and GAMESS-UK. The current version has been tested with US GAMESS and Firefly only.
Reading in¶
MDAnalysis can read a GAMESS output file and pull out atom information. Atom names are their elements. Information about residues and segments is not read.