On Tue, Mar 22, 2016, Sehrish Naz Aijaz wrote:
> Can you please tell me the command you are suggesting because I have
> heard this command first time please guide me.
> FYI you can also use cpptraj to extract energies from MDOUT files via
> the 'readdata' command. You can then analyze the data or write it out
> into any format supported by cpptraj.
I have to exhibit some frustration here: "readdata" is in the index of the
manual, so you should be able to find it.
Even easier: type "help readdata" inside cpptraj.
Don't be afraid to experiment. Learning how to extract data from various
file formats, and to manipulate it into useful forms, like graphs, is a
general tool for scientific computation. Learning how to do this for yourself
is a valuable skill, worth more than any answer you will get from a mailing
list.
...dac
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Received on Tue Mar 22 2016 - 10:00:03 PDT
