[gmx-users] Fatal Error
joshidc_in1 at rediffmail.com
Wed Dec 14 07:35:51 CET 2005
Dear all ,
I got following error while using pdb2gmx.
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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