Dear Amber user group
I need to carry out a molecular dynamics simulation of a protein
carbohydrate complex but, in the carbohydrate binding site are two calcium
ions (in direct contact with ligand). Which is the better ion metal model
for this situation? (bonded, nonbonded or cationic dummy atom model)
Best regards
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Received on Thu Oct 22 2015 - 16:00:04 PDT
