Can I use g_denstiy in case of NPT simulation system?

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Justin Lemkul

Issue #1168 cited in that thread has been fixed in version 5.0. See https://gerrit.gromacs.org/#/c/3690/ for details.

Juganta K Roy

Thanks Justin for your quick reply.

So, am I able to use my trajectory file (4.6.5) in the fixed version (5.0.).

Thanks

Yes. Newer versions of Gromacs can always read files generated by older versions (though the trajectory format is unchanged; it's the .tpr that will be different).

But without .tpr file, I think, it is not possible to calculate the partial density throughout whole simulation time (in the latest version of gromacs). Is their any intervention to do it?