[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
BioInformatics Institute, BMSI, A*STAR
30 Biopolis Street
#07-01 Matrix Building
Tel (O): +65 64788301 Fax (O): +65 64789047
More information about the gromacs.org_gmx-users