This sounds like it might be the same issue that you asked about in Aug
2022. if the answer from back then (copied below) didn't work or isn't
clear then please send more info.
*Hi Valentin and Debarati,The changes were made to have the atom names
match up with the .cif format for the residues. For NME this was the
change from CH3, HH31/2/3 to C, H1/2/3.*
On Wed, May 3, 2023, 3:00 PM Debarati DasGupta via AMBER <amber.ambermd.org>
wrote:
> Hello Amberusers,
> I must be missing something here, but the NME and ACE caps look fine to me
> in this part of the pdb file.
> Why does tleap say it is not happy with the NME?
> Please can someone look at the pdb and comment? I must be missing
> something.
> Thanks
> [cid:542d8c59-061c-468c-8316-cc225160dffd]
>
> [cid:40a89451-9160-4058-9b5c-e72c27aeb1c8]
> Debarati
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 03 2023 - 12:30:03 PDT
