<div>Dear Gromacs community,</div>
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<div> I've been using the PCA analysis in dihedral space for a chain of my protein of interest. I made a script to collect the atom quadruplets corresponding to the phi and psi angles and output them to an index file. I followed the steps in the paper manual and everything worked as it should; however, is there any way to relate the dihedral PCA information to each residue that contributed to the analysis? As it stands, my dummy reference file contains 715 "atoms" but the analysis was done for about 536 residues so that's 3 atoms per residue helping to define the dihedral angles. Could someone please provide some suggestions or
<font style="BACKGROUND-COLOR: #ffffff">more insight? I've searched the net and the mailing list but have found no information regarding my question.</font></div>
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<div>Thanks in advance,</div>
<div>Russell Green</div>
<div>UAB Undergraduate Researcher</div>