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<DIV><FONT face=Arial size=2>Dear All:</FONT></DIV>
<DIV><FONT face=Arial size=2> </FONT><FONT face=Arial size=2>I
am wondering if you can show me such fundamental things:<BR>1) I want L-J
interaction only between the C_I(innertube) and C_O(outertube)<BR>atoms (two
type of atoms in one molecule).<BR> and their are four
sections concern L-J potential.<BR> a)section [atomtypes] in
topology file<BR> b)section [nonbond_params] in topology
file<BR> c)section [pairtypes] in topology
file<BR> d)section [pairs] in topology
file<BR> now I only use b).<BR> is it
ok?<BR>2) the unit of potential parameters, I use
nm,kJ/mol<BR> is it ok?<BR>3) my coordinate is at nanometer
scale, so I shift it by 3nm, let the tubes<BR>in box.</FONT></DIV>
<DIV><FONT face=Arial size=2> <BR>4) I set charge to zero, and
set charge group arbitrarily.will it be ok?</FONT><FONT face=Arial
size=2><BR><BR></DIV></FONT></BODY></HTML>