[gmx-users] Atom type

Raghunadha Reddy Burri burri at heineken.chemie.uni-dortmund.de
Fri Oct 31 12:16:01 CET 2003

Dear GMX Users,
I am new bee in this group as well as GROMACS, I am getting this error, 

Fatal error: Atom HH31 in residue ACE 1 not found in rtp database
             while sorting atoms. Maybe different protonation state.
             Remove this hydrogen or choose a different protonation state.
             Option -ignh will ignore all hydrogens in the input.

for this I have to change atom type? or any other process?

Please give some idea about particle type. 
Many thanks in advance.

Raghunadha Reddy Burri

More information about the gromacs.org_gmx-users mailing list