[gmx-users] Generating GROMACS input file from the GAMESS output file
조영래
fandg90 at gmail.com
Fri Jul 7 04:46:01 CEST 2017
Hi gmx&gamess users~
I would like to generate *.gro *itp file about one atom for MD simulation.
So I calculated Fe metal atom using GAMESS program.
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FE.inp >>>> FE.dat FE.log
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How do I make GAMESS result file (.log) into AMBER force field format
(.gro .itp).
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