[gmx-users] Help!

ankur gupta ankurgup at iitk.ac.in
Fri Dec 26 14:52:01 CET 2003


Hi I am new in Gromacs and while trying to convert 1QHK.pdb file to
gromacs file using pdb2gmx command encountered the following error. 

Fatal error: Atom HA1 is residue GLY 1 not found in rtp database while
sorting atoms. May be different protonation state. Remove this hydrogen or
choose a different protonation state. Option -ignh will ignore all 
hydrogen in the input.

I have encountered similar type of error with other Proteins also. Please
help me. Its really Urgent.
Thanks
Ankur Gupta

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                               ANKUR GUPTA                            
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