[gmx-users] Umbrella sampling

[chris.neale at utoronto.ca]

Nilesh,

In the time it take Justin to answer, you can already have tested some  
of this out for yourself. Pick a single window and run the pull-code  
dynamics and then look at the trajectory with VMD and plot the  
coord.xvg file and check the distance by g_dist. You'll learn a lot  
more like this.

Chris.

-- original message --

  Justin,
I considered single ion- pair.
sorry for typing mistake (I wrote 4 ion-pairs).

How can I define distance range.
ONe more my cation and anion are close in box edges in my equilibrated
strucutre.

By defining pull_rate1      = -0.01 can cation and anion will come close
to each other?

Nilesh


Does will it affect on results?