Dear Amber community,
When transformed psf and pdb files to prmtop+inpcrd using chamber, it
worked fine. When doing "checkValidity" I got the following warning:
"NonUniversalWarning: Modified off-diagonal LJ parameters detected"
I assume this message is due to the truncation of CGenFF 6-character atom
types to 4 characters.
Given that the prmtop is self contained (Amber doesn't need to read
parameters from source files like GROMACS, for example) can this warning be
ignored?
Thanks for your help.
David.
On Wed, Mar 4, 2020 at 4:33 PM David Sáez <davidsaez.udec.cl> wrote:
> Dear Amber community,
>
> Can I include 6-character atom types of CGenFF in prmtop files created
> with parmed/chamber?
>
> The appendix in https://ambermd.org/prmtop.pdf says it onlysupports
> 4-characters, is that correct?
>
> Thanks
>
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Received on Thu Mar 05 2020 - 14:00:02 PST
