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atom or bond number too high
#37276 01/13/19 07:32 AM
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Hi. While trying to obtain parameters for a molecule with 342 atoms, i get the following error.

readmol2 warning: atom or bond number too high; skipped molecule

342 atoms and 443 bonds.

How do i get the parameters for such big molecules?

Re: atom or bond number too high
rahulsuresh93 #37277 01/13/19 01:37 PM
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This does not appear to be a CHARMM error message.


Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden
Re: atom or bond number too high
lennart #37283 01/16/19 06:29 AM
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This error is in cgenff, while I try to parameterize a molecule. I didnt find any appropriate forum for that, I thought it would be better to ask people who use the same. Thank you

Re: atom or bond number too high
rahulsuresh93 #37286 01/16/19 05:04 PM
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The Parameter forum is probably appropriate, since it is a question about obtaining force field parameters.


Rick Venable
computational chemist


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