Hi all,
I am wondering how I can combine the trajectory in GROMACS.
I used the coding 'gmx trjcat -s xx.tpr -f xx-1.xtc xx-2.xtc xx-3.xtc -o xxx-combined.xtc' and 'gmx trjcat -s xx.tpr -f xx-1.xtc xx-2.xtc xx-3.xtc -o xxx-combined.xtc -cat'. I found that the RMSD, RMSF, Rg and SASA data were not the same.
I am not sure which coding I should use for this combination.
I also checked the one without '-cat’. I found that the RMSD and RMSF data are not the same as any previous data in the one before combination.
I am not sure what is the differences between the one with '-cat' and without '-cat'.
Thank you.
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