I have been trying load my MD data on MDplot. Any suggestions on how to use MDplot for plotting Gromacs 5.0.1 generated MDS data ?
I needed to know how can I use my data instead of predefined dataset in R
Use gromacs tool ( like gmx cluster g_rms) to analysis and use the output for plotting in MDplot. the examples are in /MDplot/inst/extdata folder.
How can I get my gromacs plots to mdplot... that's my question specifically
Use gmx cluster and g_rms command to get the .xvg file and usere that xvg file. then you have to modify the the xvg file for MDplot.
instead of using R package , you can use MDtraj,Pytraj,Cp traj for more analysis. They support wide array of data
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