[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.
Regards,
Raghunadha Reddy Burri
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