atom or bond number too high

Posted by: rahulsuresh93

atom or bond number too high - 01/13/19 02:32 AM

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?
Posted by: lennart

Re: atom or bond number too high - 01/13/19 08:37 AM

This does not appear to be a CHARMM error message.
Posted by: rahulsuresh93

Re: atom or bond number too high - 01/16/19 01:29 AM

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
Posted by: rmv

Re: atom or bond number too high - 01/16/19 12:04 PM

The Parameter forum is probably appropriate, since it is a question about obtaining force field parameters.