Hi,
Generally, you can change the format of output data files in cpptraj
by changing the filename extension (.agr for xmgrace, .gnu for
gnuplot, etc). There's a table in the "Data Sets and Data Files"
section of the Amber/Cpptraj manuals that lists all recognized
extensions and what data they are valid for.
Hope this helps,
-Dan
On Thu, Mar 24, 2022 at 8:06 AM priya murugan <priyamurugan943.gmail.com> wrote:
>
> Hi researchers,
>
> I have used Amber 16 to run a molecular dynamics simulation of my protein
> system for 50 ns. After the production run was completed, I have generated
> an MD trajectory with 2500 snapshots which I further analysed using the
> Cpptraj program. The issue is, after doing a few analyses using Cpptraj,
> the results were generated in the .DAT extension which I can only open in
> Excel. I analysed the dynamic cross-correlation of all atoms (DCCM),
> hydrogen bond analysis, Radius of gyration and all the results were
> generated in the .DAT extension (file format). Therefore, can anyone
> suggest to me how to change the result file format or what are the
> software, can be used to view the results generated by AMBER 16? If there
> is an option in AMBER to visualise this file format, then kindly do let me
> know as it will help me to progress my research.
>
> Thanks & Regards
> ~Priya
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Received on Thu Mar 24 2022 - 08:30:02 PDT
