<span class="gmail_quote"></span>Hi all!.<br><br>I was trying to simulate a complex cation in MeCN solution and this called my attention: grompp gives me: "Generating 1-4 interactions: fudge = 0.5". It's not wrong, since I put this fudge for the VdW interactions, BUT I also placed a different fudge for the intramolecular coulombic interations (
0.8333), using these lines in the ".top" file I created:<br><br>[ defaults ]<br>; nbfunc com-rule gen-pairs fudgeLJ fudgeQ<br> 1 2 yes 0.5000 0.8333<br><br>Shouldn't grompp output two fudge parameters instead of only one? How can I be sure that it's using two different fudges, or it simply doesn't output that?
<br><br>Thanks a lot for everything in advance.<br><br>Jones<br>