From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Mon Apr 16 2018 - 14:08:06 CDT
Why are there three "atoms" declarations inside the spinAngle? Admittedly I haven't looked into the source to see if this is legal syntax, but I don't think that it is.
On 2018-04-16 12:34:27-06:00 owner-namd-l_at_ks.uiuc.edu wrote:
I am trying to use the spinAngle colvar and using the moving frame of reference. however namd is showing error that
"colvars: Error: keyword "refpositionsfile" is not supported, or not recognized in this context."
how should I solve this problem?
my colvar script is
axis (-0.47851067781448364, 0.23966480791568756, 0.8447416424751282)
atomNameResidueRange CA 212-220
atomNameResidueRange CA 1-211
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