Dear Amber members,
I have found the same question in mailing list.Sadly,it have no accurate reply about following error:
### ### ### ###
### MTK++ Error ###
### Function: MCPB::addFragment ###
### Message: Incorrect use ... exiting
### ### ### ###
During the addFragment step,I think CYM have no atom forms a ToRsion with the fragment and <atom1> and <atom2> .Thus I added the CH3 group using the following line.
addFragment terminal/CH3 bd /NAME/CLR/CM1-3/.CB. ag /NAME/CLR/CM1-3/.SG.
But it seems wrong to ignore tr,so what what the correct syntax is?
I look forward to your reply!
wjli
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Received on Sat Dec 27 2014 - 20:30:02 PST
