<br><font size=2 face="sans-serif">Dear David & Anton and others,</font>
<br>
<br><font size=2 face="sans-serif">I guess this is probably not supported
without modifying the source, but I will ask it anyway. Is there an easy
way to turn off protein-water interactions (vdw attraction C6 terms and
Coulombic interactions), but leave protein-protein and water-water interactions
untouched? In other words, I don't want any interactions b/w water and
protein atoms except for the replusive LJ to avoid overlaps. I am studying
the dewetting phenomena in a multi-domain protein where two independent
domains fold into a complex structure. It would be nice to see what happens
if there is no interaction b/w protein and water. </font>
<br>
<br><font size=2 face="sans-serif">Thanks.</font>
<br>
<br><font size=2 face="sans-serif">Ruhong</font>
<br>
<br><font size=2 face="sans-serif">Ruhong Zhou , PhD<br>
Computaional Biology Center <br>
IBM Thomas J. Watson Research Center <br>
Yorktown Heights, NY 10598 <br>
Tel: (914) 945-3591, Fax: (914) 945-4104 <br>
http://www.research.ibm.com/people/r/ruhong <br>
</font>