Dear Amber experts,
I need to calculate rmsd of torsion angle between atoms where one residue
belongs to ligand and another to protein. I used command line in cpptraj script:
rms ToFirst :111.1820 :111.1823 :186.2978 :186.2979 first out rmsd_tors_ser111_ala186.agr time 10000 mass
cpptraj reports about the error.
What should be the correct command line?
Thank you,
Michael
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Received on Tue Mar 29 2016 - 05:30:03 PDT
