[gmx-users] Problem with pdb2gmx for ATP in PDB file

[Alexandre Suman de Araujo]

Chng Choon Peng wrote:

>Dear all users,
>
>  I've been searching the mailing list to find the work around for getting
>pdb2gmx to recognize ATP. Keep getting this error:
>
>Fatal error: Atom PG in residue ATP 252 not found in rtp database
>             while sorting atoms
>
>Do I need to rename them, like use APG instead of PG?
>Tried that but doesn't seem to work either.
>
>Been trying for quite a while, but to no result.
>Can anyone help? Thanks!
>
>
>Regards,
>Choon-Peng
>
>  
>
The name of atoms in .pdb need to be the same of the .rtp file.

[]'s

-- 
Alexandre Suman de Araujo
asaraujo at if.sc.usp.br
UIN: 6194055
IFSC - USP - Sa~o Carlos - Brasil