[gmx-developers] Atom names in ffG53a6.rtp

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jul 15 13:40:57 CEST 2009

Alexey Shvetsov wrote:
> Hi all!
> Seems there is some problem with atom names for some rtp entrys in
> ffG53a6.rtp (for example for ATP) because atom names in pdb file
> cannot be longer then 4 symbols while ATP rtp entry has some names
> which are 5 symbols long
> so in this case i cannot create toplogy from PDB file with pdb2gmx.

Convert the .pdb file to some other more accommodating format (.gro?) 
with editconf -f in.pdb -o out.gro, before using it as input to pdb2gmx.


More information about the gromacs.org_gmx-developers mailing list