[gmx-developers] Off-by-one error in pbd2gmx

Lieven Buts lieven at ultr.vub.ac.be
Wed Apr 3 11:08:05 CEST 2002

Berk Hess wrote:
> pdb2gmx renumbers the residues, starting from 1. Maybe you have
> a residue with a number such as 3A in your input file.

No, there are no insertion codes or discontinuities in the
residue numbering.

Lieven Buts

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