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
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
&general
endframe=50, verbose=1,
# entropy=1,
/
&gb
igb=2, saltcon=0.100
/
&pb
istrng=0.100,
/
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Received on Sat Nov 14 2015 - 02:30:03 PST
