[gmx-users] interaction force between Mg and Oxygens of phosphate, in CHARM36 force field

Sajad Ahrari sajadahrari at yahoo.com
Sat Jan 20 08:53:04 CET 2018

Hello Dears,
I am using CHARM-36.ff for my simulation. I have Mg ions and ATP as hetero-atoms in my system (the Mg-ATP complex). I am trying to know about the amount of interaction force between Mg ions and phosphates of ATP that is already set in this force field. Could you please help me know if I can find about these parameters in the force field files?
Thank you

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