Dear Amber developers,
We need to know references of LJ potential parameters
of halide ion employed in parm99.
However, we cannot find the enough information anywhere.
Of course, we know that parm99.dat file have following information:
F 1.75 0.061 Gough et al. JCC 13,(1992),963.
Cl 1.948 0.265 Fox, JPCB,102,8070,(98),flex.mdl CHCl3
Br 2.22 0.320 Junmei(?)
I 2.35 0.40 JCC,7,(1986),230;
We can access the references of F and I.
However, we cannot access the references of Br and I.
To our knowledge, this is only information we can use.
Even in Amber mannual, there are no information for
these halide parameters.
We are most grateful if you would tell us it.
Thank you for your kind support.
Sincerely yours,
Ikuo Kurisaki
$B7*:j0J5WCK(B
$BN)L?4[Bg3X.8L?2J3XIt.8L?>pJs3X2J(B
$B9b66BnLi8&5f<<=jB0(B $BGn;N8&5f0w(B
$B")(B525-8577 $B<"2l8)ApDE;TLnO)El(B1-1-1
E-mail: kurisaki.fc.ritsumei.ac.jp
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Received on Tue Jul 27 2010 - 20:30:05 PDT
