<HTML>
<FONT style="FONT-SIZE: 10pt; FONT-FAMILY: tahoma">
<DIV>Hi, gmx-usrs,</DIV>
<DIV> </DIV>
<DIV>I want to ask for a problem on the charge distribution. I
simulate the sodium dodecylbenzenesulfonate and its homologues in
solution using the gromos96 force field. I can not find the similar atom
type as replace in the gromos96 force field . How do I
define every atomic charge? I have the mulliken charge distribution and
ESP charge from the quantum calculation. Should I employ them? Can
you give me some advice? Thanks a lot!</DIV>
<DIV> </DIV>
<DIV>H. Y. Xiao<BR> </DIV></FONT>
</HTML>