MCPB中的参数
请教MTKpp手册中86页有如下命令# Methyl terminating groups (Add these after all other residue have been added)
addFragment terminal/CH3 bd /NAME/CLR/HD1-1/.CB. ag /NAME/CLR/HD1-1/.CG. tr /NAME/CLR/HD1-1/.ND1 87.0
addFragment terminal/CH3 bd /NAME/CLR/AS2-2/.CB. ag /NAME/CLR/AS2-2/.CG. tr /NAME/CLR/AS2-2/.OD2 170.0
addFragment terminal/CH3 bd /NAME/CLR/AS1-3/.CB. ag /NAME/CLR/AS1-3/.CG. tr /NAME/CLR/AS1-3/.OD2 200.0
addFragment terminal/CH3 bd /NAME/CLR/GL1-4/.CB. ag /NAME/CLR/GL1-4/.CG. tr /NAME/CLR/GL1-4/.CD. 288.0
addFragment terminal/CH3 bd /NAME/CLR/HD2-5/.CB. ag /NAME/CLR/HD2-5/.CG. tr /NAME/CLR/HD2-5/.ND1 185.0
请教这些如何理解,最后的数字表示什么,谢谢
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