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 - 06:00:02 PST
