> I change a little bit to make PSF recognized. But ptraj dumps
> one more residue at the beginning of AA sequences. Actually,
> it duplicates the first residue. Why does this happen?
Based on the information given, I have absolutely no idea. Unless ptraj
is misinterpreting the PSF file (or possibly incorrectly handing fixed
residues in the PSF/trajectory), it should not do this. I would attempt
to output a two PDB files from the trajectory and look at these with
molecular graphics first.
trajin mytraj 1 2 1
trajout mypdb pdb
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Received on Thu Jul 28 2005 - 00:53:01 PDT
