From chemistry-request /at\ccl.net Wed Jun  8 04:18:09 2005
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Date: Wed, 8 Jun 2005 04:18:08 -0400
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From: "Zhenyu, , Yang" <yangzy[at]lnm.imech.ac.cn>
To: chemistry[at]ccl.net
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Subject: W:helpproblem on Gamess/Tinker for QM/MM calculation
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   I am doing some QM/MM calculations by Gamess/Tinker,
   I plan to build a water box in my system which will be treated as MM atoms.
   But I don't know how to set the boundary condition for the water box 
  in Gamess input?
  Anybody could enlighten me on this problem??
  Thanks in advance.





Best Regards
 				
Yang Zhenyu
  State Key Laboratory of Nonlinear Mechanics (LNM)
  Institute of Mechanics, Chinese Academy of Sciences
  No.15 Beisihuanxi Road
  Beijing 100080, P. R. China
yangzy[at]lnm.imech.ac.cn