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<DIV><FONT size=2 face=Tahoma>Hello,</FONT></DIV>
<DIV><FONT size=2 face=Tahoma> I was wondering how to set up
parameters for interactions between two different atoms A and B. Since for
Gromacs parameters are defined to each kind of atom, I cannot specify
parameters between A and B. For Buckingham potential, the rule
was:</FONT></DIV>
<DIV><FONT size=2 face=Tahoma> A_ij=(A_ii * A_jj)^(1/2)</FONT></DIV>
<DIV><FONT size=2 face=Tahoma>So anyone know how to specify this value while not
using the combination rules?</FONT></DIV>
<DIV><FONT size=2 face=Tahoma></FONT> </DIV>
<DIV><FONT size=2 face=Tahoma>I also have problem in installing xmgr. I use
MacOSX 10.5.5. I type ./configure and got this error messege:</FONT></DIV>
<DIV><FONT size=2 face=Tahoma>ecme222-96-dhcp:xmgr-4.1.2 ssx$
./configure<BR>creating cache ./config.cache<BR>checking host system type...
configure: error: can not guess host type; you must specify one<BR></FONT></DIV>
<DIV><FONT size=2 face=Tahoma>Anyone has encountered this before? </FONT></DIV>
<DIV><FONT size=2 face=Tahoma>Thank you.</FONT></DIV>
<DIV><FONT size=2 face=Tahoma></FONT> </DIV>
<DIV><FONT size=2 face=Tahoma>Shuangxing Dai</FONT></DIV></BODY></HTML>