[gmx-users] Umbrella sampling

chris.neale at utoronto.ca chris.neale at utoronto.ca
Sat Jan 1 20:41:43 CET 2011


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.


-- original message --

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

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


Does will it affect on results?

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