[AMBER] how to plot a graph for enthalpy

From: ayesha afzaal <khwahish_2008.hotmail.com>
Date: Sat, 14 Nov 2015 15:09:17 +0500

Hi all,
i want to know if i want to plot graph for enthalpy how is it possible ?
because in Amber advanced tutorial when i used given mdcrd file it only generates one value for Delta G.
i put the following inputs for mmbsa.in
 it possible if i use 1000 frames then MMPBSA.py also calculate 1000
binding energies ? how can i plot graph for it please guide me.
Input file for running PB and GB
   endframe=50, verbose=1,
# entropy=1,
  igb=2, saltcon=0.100
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Received on Sat Nov 14 2015 - 02:30:03 PST
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