[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....
Dhananjay
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