On Wed, Nov 26, 2014, Akihiro Yamane wrote:
> Would someone let me know how to restrain atoms during optimization?
> I want to depict Ramachandran plot of disaccharide in vacuum under fixing
> atoms condition.
What you did looks fine. If you want to make sure that certain atoms don't
move (even by a tiny amount), use the ibelly option rather than the ntr
option.
...good luck...dac
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Received on Wed Nov 26 2014 - 05:30:02 PST
