[gmx-developers] Atom names in ffG53a6.rtp

TJ Piggot t.piggot at bristol.ac.uk
Wed Jul 15 14:18:21 CEST 2009

Or you could change the names in the rtp entry and still use the pdb format.


--On Wednesday, July 15, 2009 21:40:57 +1000 Mark Abraham 
<Mark.Abraham at anu.edu.au> wrote:

> 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.
> Mark
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TJ Piggot
t.piggot at bristol.ac.uk
University of Bristol, UK.

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