[gmx-users] atom not found in rtp

[Anton Feenstra]

Jozef Hritz wrote:

> 	Hi Gromacs users,
> 
> I had add new residue topology into ffG43a1.rtp
> After running pdb2gmx gromacs complains:
> Fatal error: Atom HO2* not found in rtp database in residue FAD,
> 
> However, there is no atom HO2* in my input .gro file
> There is AH2* with the corresponding AH2* in rtp.
> 
> Can anybody explain me, why gromacs complains about atom HO2*, which is
> not present in my input gro file?

It may be added automatically, following rules in the ffG43a1.hdb 
(hydrogen database). Check if there is a block for FAD in the rtp.


-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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