AMBER: Leap could not find atom type CK

From: <wl_phy.163.com>
Date: Wed, 21 Jul 2004 12:35:54 +0800 (CST)

Hi all!

 I was trying to use OPLS force field to perform the molecular dynamics and got some trouble.

 i have loaded both the opls_parm.dat and three other opls related prep files ("opls_uni.in" "opls_unict.in" "opls_unint.in"), and also, added some new atom types in the addatomtype section in leaprc file, but leap still cannot recognized the united atom type "CK". The error messages is
"
For R<PHE.1> A<...> could not find atom type CK
....
"
 i've asked similar questions and get useful suggestions but this problem is still exists.

 Is anyone know how to solve this problem?Thanks vesy much!

wl

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Received on Wed Jul 21 2004 - 06:53:01 PDT
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