On Mon, 2014-02-24 at 14:28 +0000, almarques wrote:
> Thank you. I did that but I obtained the same error.
> I also extracted the pdb file from frame 1 of the trajectory without
> solvent to see if the residue numbers are correct and indeed they match
> those in the top file of the complex. Does anyone has other suggestion
> about what may be wrong?
> I am using AmberTools12.
Try AmberTools 13 instead. If you send me your topology files and an
example with your topology files and a trajectory that has 2 frames I
will look into it (in a compressed tarball please). You may have to
post them on Dropbox or something if they're too big to attach here.
Thanks,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Feb 24 2014 - 07:00:03 PST
