GMS (Gamess trajectory)

Coordinate reader


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.