I’m using the following script to determine the average structure chain A of a homodimer (250 residues)
parm complex_solv.prmtop
trajin prod_0-100ns.nc
rms first mass @C,CA,N :1-125
average chA-average.db pdb
Warning: Setup failed for [rms first mass @C,CA,N :1-125]: Skipping
1: [average chA_averaged.pdb pdb]
I’d appreciate any explanation with regard to this warning
Regards
George
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Received on Thu Dec 17 2015 - 01:30:03 PST
