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

Chng Choon Peng cpchng at bii.a-star.edu.sg
Wed Jan 21 01:53:01 CET 2004

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!


Mr. Choon-Peng CHNG
Research Associate
BioInformatics Institute, BMSI, A*STAR
30 Biopolis Street
#07-01 Matrix Building
Singapore 138671
Tel (O): +65 64788301 Fax (O): +65 64789047

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