David van der Spoel wrote:
I work with a protein where 3 CYS redisidues make bond with a Zn atom by
its SG atoms and HIS redisidue makes bond with a Zn atom by its NE2 in
active site
I want to use deprotonated “cys”. In manual for “pdb2gmx “ clearly says
on option of choosing Cys proto
I work with a protein where 3 CYS redisidues make bond with a Zn atom by
its SG atoms and HIS redisidue makes bond with a Zn atom by its NE2 in
active site
I want to use deprotonated “cys”. In manual for “pdb2gmx “ clearly says
on option of choosing Cys protonated state possibility but wh
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