I’m trying to compute the distance between the centres of mass of two helices using a PDB file as reference.
My input file is:
parm complex_solv.modO.prmtop
parm subA.pdb [Xray]
trajin cmplx.pH_5.60ns.nc
reference subA.pdb parm [Xray]
distance ToXray ref [Xray] :103-117.CA :
82-92.CA out DIST.agr
run
I get the following error:
[distance ToXray ref [Xray] :
103-117.CA :
82-92.CA out DIST.agr]
DISTANCE: :103-117.CA to :82-92.CA, center of mass.
Error: [distance] Not all arguments handled: [ ref [Xray] ]
I thought the first mask refers to the reference and the second to the trajectory. I’d be grateful for any suggestions regarding these errors.
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Received on Tue Sep 26 2017 - 10:00:02 PDT
