The number of atoms in trajectory file is larger than the number of atoms in the structure file mean while performing PCA analysis ?

19 April 2024 0 3K Report

Can someone please help me solving this error which occurred at command line gmx anaeig -v eigenvec.trr -f md_protein.xtc -eig eigenval.xvg -s md_protein.pdb -first 1 -last 2 -2d 2dproj_ev_1_2.xvg while performing PCA analysis of protein alone

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