On Fri, Jan 27, 2017, Andreas Tosstorff wrote:
>
> PCA=loadmol2 PCA.mol2
>
>
> "No bond parameter for: -
>
> No bond parameter for: - N
This is very odd: please examine the PCA.mol2 file: are there atom types
for all atoms? The blanks you are seeing suggest that some atoms don't have
types, but that should have led to other types of errors.
I can't say that I have ever seen errors like these (where the atom types were
missing...not sure what is going on. Can you post the PCA.mol2 file?
(You can use tleap rather than xleap if you like: permits copy and paste.)
....dac
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Received on Fri Jan 27 2017 - 13:00:03 PST
