[gmx-users] Problem with pdb2gmx for ATP in PDB file
r.k.badhan at stud.man.ac.uk
Thu Jan 22 01:06:01 CET 2004
I did try to adjust the names when I was having problems, but I
found by just getting the GRO files from prodrg and incorporting the
two with all the columns aligned as I mentioned before this worked
and gromacs recognized atp.
> 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!
> The name of atoms in .pdb need to be the same of the .rtp file.
> Alexandre Suman de Araujo
> asaraujo at if.sc.usp.br
> UIN: 6194055
> IFSC - USP - Sa~o Carlos - Brasil
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School of Pharmacy and Pharmacetical Science
The University of Manchester
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