[gmx-users] Fatal Error

Dhananjay joshi joshidc_in1 at rediffmail.com
Wed Dec 14 07:35:51 CET 2005

Dear all ,

I got following error while using pdb2gmx.

Fatal error:
Atom HD1 in residue HISB 61 not found in rtp entry with 12 atoms
             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.

Which one is preferable removal of hydrogen or choise of different protonation state ?

I have not yet tried any one....

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