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On 14/02/2012 12:38 AM, Weingarth, M.H. wrote:
<blockquote
cite="mid:D1095C0137A41E459726F4ABC593B5C505C620FD@ICTSC-W-S205.soliscom.uu.nl"
type="cite">
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<div style="direction: ltr;font-family: Tahoma;color:
#000000;font-size: 10pt;"><span style="font-family: Tahoma;">Thank
you very much.<br>
<br>
I managed meanwhile to run the simulation with K+ by adding<br>
<br>
<<<K+ 19 0.000 0.000 A 1.638e-05
1.184e-06>>><br>
<br>
to my ffnonbonded.itp<br>
<br>
I took c6 and c12 parameters (I use gromos 53a6) from Table
I of </span><br>
<h1 style="font-weight: normal; font-style: italic;"
class="articleTitle"><font size="3">Effect of Force Field
Parameters on Sodium and Potassium Ion Binding to
Dipalmitoyl Phosphatidylcholine Bilayers '
<br>
</font></h1>
<br>
As far as I understand, it is sufficient to add this (and only
this line) line, right ?<br>
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</blockquote>
<br>
Assuming those parameters are suitable for your force field, yes
adding an ion type is pretty simple.<br>
<br>
Mark<br>
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