Code:MDIntro


 * 1) Water dimer structure
 * 2) Swiss PDB Viewer
 * 3) * Download, extract to the default location (C:\Users\ \Downloads\SPDBV_4.10_PC), and run spdvb.exe.
 * 4) Since sftp doesn't work from the lab computers, download files from
 * 5) Optional: compile and install libxdrfile
 * 6) Compute radial distribution functions using gmx rdf
 * 7) * gmx rdf -n ../index.ndx -f ../run.trr -o run.rdf.xvg
 * 8) * see
 * 9) Compute P(r, theta)
 * 10) * see