AMBER Archive (2009)
Subject: [AMBER] RE: add magnesium
From: Ross Walker (ross_at_rosswalker.co.uk)
I am copying this to the amber list which is where such questions are best
Adding Mg2+ ions should be as simple as adding Na+, Cl- etc. You just use
addions unit MG2 x
Where x is the number of Mg2+ ions you want to add.
For a list of ions currently loaded in leap you can type:
And it will show you all the units it knows about from which you can
All the best
From: zgong.hust [mailto:zgong.hust_at_gmail.com]
I would like to add magnesium to the RNA molecule before perform
What kinds of ions could I add by using the tleap?
Thank you very much for your help
School of Physics
Huazhong University of Science and Technology