On 28/11/2011, at 12:34 p.m., JiYuan Liu wrote:
>
> Hi Benï¼
> Could you suggest me to change the torsion value in 93 line(addFragment
> terminal/CH3 bd /NAME/CLR/AN1-6/.CB. ag /NAME/CLR/AN1-6/.CG. tr
> /NAME/CLR/AN1-6/.ND2 131.0),the torsion 131.0 is not reasonable in this
> line?Please give me the detail.
I don't fully understand your question, but I'm confident that you're capable of changing the torsion angles by yourself. If necessary, try stepping through increments of 15 degrees and see which torsion angle or angles produce chemically sensible output.
Ben
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Received on Mon Nov 28 2011 - 15:30:02 PST
