Dear gmx Users,
I want to use g_density to characterize the interface of water-polymer in case of NPT simulation by using both mass and number density in gromacs-4.6.5. But when I googled, I got some information about g_density, here is the link
http://comments.gmane.org/gmane.science.biology.gromacs.user/61206.
So, I need your help to proceed further.
Thanks
Issue #1168 cited in that thread has been fixed in version 5.0. See https://gerrit.gromacs.org/#/c/3690/ for details.
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?
Thanks
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