GMX-RAMA(1) | GROMACS | GMX-RAMA(1) |
gmx-rama - Compute Ramachandran plots
gmx rama [-f [<.xtc/.trr/...>]] [-s [<.tpr>]] [-o [<.xvg>]] [-b <time>]
[-e <time>] [-dt <time>] [-[no]w] [-xvg <enum>]
gmx rama selects the phi/psi dihedral combinations from your topology file and computes these as a function of time. Using simple Unix tools such as grep you can select out specific residues.
Options to specify input files:
Options to specify output files:
Other options:
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2021, GROMACS development team
March 29, 2021 | 2020.6-Debian-2020.6-2 |