[gmx-users] RE : Hydrogen Bond analysis using Gromacs

Keerthana S.P Periasamy keerthanasp33 at yahoo.com
Fri May 17 08:21:42 CEST 2013



Hai
        In Hydrogen Bonding Analysis, I  want to know about the the interpretation of   option -life and  -ac (autocorrelation) I cannot understand what the columns P(t) and t p(t)  describe and how to interpret this. Similarly after tagging -ac option in .xvg file I am getting    @ s0 legend "Ac\sfin sys\v{}\z{}(t)"
  @ s1 legend "Ac(t)"
  @ s2 legend "Cc\scontact,hb\v{}\z{}(t)"   @ s3 legend "-dAc\sfs\v{}\z{}/dt"    i also want to know what these s0 to s3 specify and how to interpret this.Please help me to get cleared of my doubts so that I can continue further.                           Thanks in Advance
with regardsKeerthanaPeriasamy


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