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<div>You still might be able to with a static group, such that you pick 5 random ones, then the rest as a block (all lipids). Your only problem may be if you define say 5 of 100 independent, then you would have to sum A-B plus A-all others, so more complicated, but its just a suggestion.</div>
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<div>Stephan</div>
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<div style="margin:0 0 10px 0;"><b>Gesendet:</b> Montag, 22. Juli 2013 um 12:20 Uhr<br/>
<b>Von:</b> "Davit Hakobyan" <davhak2000@hotmail.com><br/>
<b>An:</b> "gmx-users@gromacs.org" <gmx-users@gromacs.org><br/>
<b>Betreff:</b> [gmx-users] Calculate interaction energy dynamically</div>
<div name="quoted-content">Dear Gromacs Users,<br/>
<br/>
Is there a way in Gromacs to calculate the interaction energy between any two neighbor lipids dynamically? Since the neighbor lipids change over time in the trajectory file specifying a static energy groups in the input script will not help.<br/>
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Is there a way to accomplish this?<br/>
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One could use the g_select tool to define dynamic groups but again the energy file needs a predefined groups which probably makes the g_select tool useless in this case?<br/>
<br/>
Any advice is greatly appreciated.<br/>
<br/>
Thanks a lot in advance.<br/>
--<br/>
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