[gmx-users] Tutorial

Sara baretller sarabiocomputation at gmail.com
Thu Aug 18 20:14:01 CEST 2011

Hi justin

in the tutorail you have

It is not necessary to run a complete energy minimization procedure on the
bilayer, although you can if you want. The .tpr file contains information
about bonding and periodicity, so it can, in a sense, be used to reconstruct
"broken" molecules.

when i tried using the minimized gro file i go this error
Fatal error:
Structure or trajectory file has more atoms (3655) than the topology (1792)
For more information and tips for troubleshooting, please check the GROMACS

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