Re: [AMBER] query for plotting enthalpy graph

From: Jason Swails <jason.swails.gmail.com> Date: Sat, 14 Nov 2015 08:58:23 -0500

--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
> On Nov 14, 2015, at 8:53 AM, Ayesha Kanwal <ayesha_comsian.hotmail.com> wrote:
> 
> 
> 
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> 
> 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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