It does not explain for all files or all columns. For example, in the evisco.xvg, the following lines are written, but there are 5 columns (one of which is time). What are the rest? And the unit of the column (written below) is not clear to me. @ title "Shear viscosity using Einstein relation" @ xaxis label "Time (ps)" @ yaxis label "(kg m\S-1\N s\S-1\N)"
Same column are in the eviscoi.xvg (below). @ title "Shear viscosity integral" @ xaxis label "Time (ps)" @ yaxis label "(kg m\S-1\N s\S-1\N ps)" I do not exactly know the relation between the two files and how I should use them. Also, the enecorr.xvg looks like to be a correlation function. But its unit is not clear and I do not know how to use it. I will be appreciated if you could clarify them. Regards, Payman -----Original Message----- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Dallas Warren Sent: September 29, 2010 7:11 PM To: Discussion list for GROMACS users Subject: RE: [gmx-users] viscosity calculation_2 Sorry, haven't looked at these files before so this might not be the case, but doesn't the top of the .xvg file explain what each column is? Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9909 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists