[AMBER] query for plotting enthalpy graph

From: Ayesha Kanwal <ayesha_comsian.hotmail.com>
Date: Sat, 14 Nov 2015 18:53:18 +0500


Hi all,

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

is 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 - 06:00:02 PST
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