I have a protein in water system. The protein has some charge, which I want to neutralise, introducing stochastic ammount of K+ or Cl-. As far as I figured out, the best way to do it is to use genion. Only I don't know beforehand what the protein's charge would be, so I'm wondering if it's possible to tell genion to neutralise the system?
<br><br>2nd.: If genion puts some ions in the system, are the ions considered as a 2nd protein?<br><br>Hota<br><br><div><span class="gmail_quote">On 12/21/05, <b class="gmail_sendername">Tsjerk Wassenaar</b> <<a href="mailto:tsjerkw@gmail.com">
tsjerkw@gmail.com</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hi Tamas,<br>
<br>
You have to specify it yourself.<br>
<br>
Cheers,<br>
<br>
Tsjerk<br><br><div><span class="q"><span class="gmail_quote">On 12/20/05, <b class="gmail_sendername">Tamas Horvath</b> <<a href="mailto:hotafin@gmail.com" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">
hotafin@gmail.com</a>> wrote:</span></span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><span class="q">
I want to neutralise my system (chargewise), so I use genion for that.<br>Do I always have to specify the number of ions to use, or is there a way to automatically neutralise the system?<br>
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