AMBER Archive (2004)

Subject: AMBER: Leap could not find atom type CK

From: 吴磊 (
Date: Tue Jul 20 2004 - 23:35:54 CDT

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 ("" "" ""), 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!


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