[gmx-users] atom not found in rtp
feenstra at few.vu.nl
Fri Jun 17 11:32:34 CEST 2005
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.
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