<br><br><div><span class="gmail_quote">2006/12/7, <a href="mailto:chris.neale@utoronto.ca">chris.neale@utoronto.ca</a> <<a href="mailto:chris.neale@utoronto.ca">chris.neale@utoronto.ca</a>>:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
By the way, why are you using the combination of genpairs=yes<br>fudgeLJ=0.5 and fudgeQQ=0.8333 ?<span style="text-decoration: underline; font-weight: bold;"> This is not a valid combination for</span><br style="text-decoration: underline; font-weight: bold;">
<span style="text-decoration: underline; font-weight: bold;">any force field that comes in the standard gromacs distribution.</span></blockquote><div><br>
</div></div>Hi,<br>
<br>
I am puzzled about this. In your opinion, when I use
genpairs=no, fudgeLJ=0.5 and fudgeQQ=0.8333, are these scaling factors,
0.5 and 0.8333, useful? On the other hand, when using genpairs=yes, how
to set the scaling factor of fudgeLJ and fudgeQQ?$