Hi. I have two questions. By using the muldihedral chip command, the
resulting values are only the chi1 dihedral values or something else.
Second, the command hist:
multidihedral chi1 chip resrange 15,16,204,206,259,264 out chi.dat
runanalysis hist chi1[*100] out hist-dihed.gnu
fails with the following warning:
[runanalysis hist chi1 [*100] out hist-dihed.gnu]
Dataset chi1 not found.
I've tried a few other combinations, but they all fail to recognize the
dataset name. What am I doing wrong here?
Thank you in advance
Fabrício
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Received on Fri Nov 01 2013 - 09:00:03 PDT
