Dear Subhomoi and Mark,
I was able to overcome the problem by using the new tpr file, as suggested.
Thanks for the help.
Regards.
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Hi,
What does gmx dump say about the contents of your xtc file?
Mark
On Fri., 19 Apr. 2019, 08:29 Prasanth G, Research Scholar, <
prasanthgha...@sssihl.edu.in> wrote:
> Dear all,
>
> I am interested in carrying out pca analysis of protein with ligand
> (complex). I had carried out a simulation
Dear all,
I am interested in carrying out pca analysis of protein with ligand
(complex). I had carried out a simulation for 20 ns and extended it by 10
ns (making it a 30ns simulation).
I had extracted protein trajectories from both the simulations and joined
them together using -cat flag.
I
