I found the printLJTypes command (thanks to
http://archive.ambermd.org/201707/0264.html). Even if two atoms share a
common truncated label for type, they are assigned to different type
indices.
On Thu, Mar 5, 2020 at 6:40 PM David Sáez <davidsaez.udec.cl> wrote:
> 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 - 16:00:02 PST
