Hi,
You can perform energy post processing (imin=5) on your coordinates
trajectory to get PE and density. You can't recover your KE without
velocity information.
-Dan
On Wed, Oct 11, 2017 at 1:35 PM, Rana Rehan Khalid <rrkhalid.umich.edu> wrote:
> Hi everyone
>
> I mistakenly delete my simulation .out files but I have .rst restart file
> and coordinate files .mdcrd. can i use these files to plot energy , P.E K.E
> and density by using process mdout.perl command or can i use .rst or mdcrd
> files to create .out file.
>
>
> Regards
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Oct 12 2017 - 06:30:02 PDT
