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

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...

19 April 2024 2,850 0 View