[gmx-users] genion command with PDB files for amber03 force field
drugdesign at yandex.ru
Thu Mar 5 15:44:59 CET 2009
Dear gromacs users,
I am using genion command to add ions to .tpr file which
was made for protein by use of amber03 force field.
In intial pdb file N-terminal amino acid is NHIE, but genion changes it to NHI, which isnot recognized by next pdb2gmx.
This is not a big problem , but it looks is a little bit like a bug.
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