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GROMACSMain Table of Contents |
VERSION 3.1
Wed 27 Feb 2002
| VERSION 3.1 |
This is a flow chart of a typical GROMACS MD run of a protein in a box of water. A more detailed example is available in the Getting Started section. Several steps of energy minimization may be necessary, these consist of cycles: grompp -> mdrun.
| eiwit.pdb |  |
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| Generate a GROMACS topology | pdb2gmx |  |
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| conf.gro | topol.top | |||||
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| Enlarge the box | editconf | |
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| conf.gro | ||||||
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| Solvate protein | genbox | |
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| conf.gro | topol.top | |||||