[gmx-users] How to remove ions from, and from which file in the finished simulation?

[Marko Sever]

Hello,

got another question, while I'm finding my way around Gromacs :). I have a simulation which I have to continue but I need to remove the ions out of it and add just so much ions back that the system will be neutral, because now there are too much of them. So I should be working on the .gro file that was used for the MD simulation right or maybe also the latest topology file? 

Can you help me with the commands please? 

Also a bit off topic but where should i look for info regarding steering MD, for steering some molecule through a channel?


Cheers and thanks,

Marko