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Grant Rotskoff

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01/27/2013

02:45 AM GROMACS Bug #1133 (Closed): Charmm27 HIS Heme Bond pdb2gmx 'HIS1' error
When a HIS / Heme bond is detected by pdb2gmx in the Charmm27 ff, it fails to convert the 'HIS1' residue to 'HSD'. Th...

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