[gmx-users] Re:How I can create a gromacs input file from a gamess output

Arlan Gonçalves asg2000 at bol.com.br
Tue Jul 13 02:02:07 CEST 2004

    In the first time, you need to convert the last frame(last Z- Matrix or Cartesian coordenates) of your *.out file to *.pdb with the Open Babel software (freeware at the internet). After that is only you to follow the normal procedures( pdb2gmx,....,etc ). :)

                     Arlan da Silva Gonçalves
              IME - Instituto Militar de Engenharia
                     Rio de Janeiro - Brasil
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