Dear all,<div><br clear="all"> I was trying to modify the Shift option of electrostatic summation. Mainly I want to modify the formulas of this electrostatic summation. From the manual page 69, the modified non-bonded interactions, the formulas about Shift is there. In the file /src/gmxlib/<span class="Apple-style-span" style="font-family: 'Lucida Grande'; font-size: 14px; ">shift_util.c, there are these formulas. So is this the only file for Shift? Since I have added some printf lines to this file, I do not see the result when I recompile and use Shift. I doubt whether this function was called to do Shift. Or is there any other file related with the Shift method and I need to change?</span></div>
<div><font class="Apple-style-span" face="'Lucida Grande'" size="4"><span class="Apple-style-span" style="font-size: 14px;">Thanks in advance.</span></font></div><div>-- <br>Shuangxing Dai<br>
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