Dear Amber members,
I have created metal ion force field（containing one CU）successfully.This time ,I need to build force field with three copper ions.
During the Building Sidechain Model step,following errors:happened:
1.### ### ### ###
### MTK++ Error ###
### Function: connections::assignStdAngles ###
### Message: Please assign angles before assigning MM parameters for molecule: CU
### ### ### ###
2.### ### ### ###
### MTK++ Info ###
### Function: MCPB ###
### Message: createResidue
### ### ### ###
### ### ### ###
### MTK++ Info ###
### Function: MCPB ###
### Message: addToResidue
### ### ### ###
### ### ### ###
### MTK++ Info ###
### Function: selection::parse ###
### Message: selection string = /lac_3CU/CLR/CU2
### ### ### ###
### ### ### ###
### MTK++ Info ###
### Function: selection::parse ###
### Message: selection string = /lac_3CU/3/.CU-503/CU..
### ### ### ###
### ### ### ###
### MTK++ Error ###
### Function: selection::parse ###
### Message: /col/mol/smol/atom selection error (6) ... exiting
### ### ### ###
I think my selection grammar have no problem.You can find my sidechain.bcl in the attachment.
I look forward to your reply!
wjli
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j ngs?
Received on Wed Jan 14 2015 - 20:30:05 PST
