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OPLSAA-M torsional parameters in oplsaam.prm file.
I would like to use torsion parameters for the peptide backbone to model PBLG (poly gamma-benzyl L-glutamate). I compare data in the Robertson-2015-JCTC paper and the oplsaa.prm, oplsaal.prm and oplsaam.prm files of tinker 8.10.5 distribution. Although oplsaa and oplsaal parameters correspond to those in Robertson paper, I find that parameters given in oplsaam.prm are different from those given in Robertson-2015 but are identical to those in oplsaal.prm.
E.g. the angle phi (C-N-Calpha-C) along the peptide backbone is described by the following atom CLASS (classes are different for oplsaa and oplsaa-l/m) :
file CLASS V1/V2/V3 V1/V2/V3
Robertson .prm files
-------------------------------------------------------------------------------
oplsaa 3-24-13-3 -2.365 / 0.912 / -0.85 -2.365 / 0.912 / -0.85
oplsaal 21-23-1-21 -0.596 / 0.279 / -4.913 -0.596 / 0.279 / -4.913
oplsaam 21-23-1-21 -2.511 / 0.21 / -0.200 -0.596 / 0.279 / -4.913
I find the same behavior for other angles along the peptide backbone.
Did I do some stupid mistake or misunderstood something in Robertson paper or tinker files organization? Or is there something wrong in the files?