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MoDyGliAni: Molecular Dynamics Global Analysis

Cite: Belmonte L, Rossetto D, Forlin M, Scintilla S, Bonfio C, Mansy SS 'Cysteine containing dipeptides show metal specificity that matches the composition of seawater' Physical Chemistry Chemical Physics 2016

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0- Q: What is MoDyGliAni? 
   A: It is an R package for the analysis of Molecular Dynamics trajectories

1- Q: How do I install Modygliani? How to run it?
   A: Modygliani is not a stand alone software so it must run as an R script. Simply extract it in the desidered path. 
      Check the "modygliani_macro_example.R" for an example on how to run it. Also, we assume that you already have R installed. 
      Please go through this file to read about its version.
	
2- Q: Where have been tested? What I should use to run it?
   A: It has been tested on: * Ubuntu 14.04.4 LTS * R version 3.0.2 (2013-09-25) -- "Frisbee Sailing" * With R Studio 0.98.1028 – 2009-2013 

3- Q: What I find inside the package?
   A: R functions for read tab delimited ASCII files from Molecular Dynamics (MD), R functions to fit and plot the results. You'll find also
      an "example" directory in which some input files are kept. In the same folder you'll find an "example/output" folder in which results 
      of the "modygliani_example_macro.R" were run and checked before the upload of the package

4- Q: How is the guy that helps for troubleshooting? And how to get in touch with him?
   A: Luca Belmonte, luca.belmonte@unitn.it
