gmx
Python functions related to molecular dynamics (MD) simulations performed with Gromacs.
Functions
Extract the simulation box dimensions from a .gro file. |
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Check if the input file or a compressed version of it exsists. |
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Extract the time of the last frame of an Gromacs MD simulation from the .log file. |
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Get the number of bins. |
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Extract the maximum number of simulation steps of an Gromacs MD simulation from the .mdp file. |
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Read the last n lines from a file. |
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Open a (compressed) file and return a corresponding file-like_object. |