Hi all
I just wanted to ask (for certainty) what the unit of the reported
amplitude of ring puckering is by cpptraj? As per definition by Altona &
Sundaralingam in 1972 this should be the 'maximum angle of torsion' so I'd
expect this to be an angle but since the reported values in cpptraj are
only small I suspect this to be in radians. Would someone be so kind to
comment on my suspicion? I checked the manual but it isn't mentioned in
what unit the amplitude is reported.
Thanks in advance!
Charles-Alexandre Mattelaer
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Received on Sat Jun 15 2019 - 00:00:03 PDT
