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

2018-01-21 Thread Justin Lemkul
On 1/20/18 2:42 AM, Sajad Ahrari wrote: 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

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

2018-01-19 Thread Sajad Ahrari
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