Hello,
I want to calculate the rmsd against a reference file. Here is the input
file:
trajin annealing.traj 175 200
average average.pdb pdb
rms referernce out allatoms
According to the output file the crd and pdb files are being read but I get
the following message:
ACTIONS
1> RMS to first frame using no mass weighting
Dumping RMSd vs. time (with time interval 1.00) to a file named
allatoms
Atom selection follows [No atoms are selected]
No atoms are selected and I get the rmsd against the first frame. Any idea
what is wrong with the input file?
Many thanks for the help.
John
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Received on Thu May 06 2004 - 21:53:00 PDT
