Thank you for your help, David. I'll try to use ibelly option.
Best Regards.
Akihiro
From: David A Case <case.biomaps.rutgers.edu
<mailto:case.biomaps.rutgers.edu?Subject=Re%3A%20%5BAMBER%5D%20How%20to%20re
strain%20atoms> >
Date: Wed, 26 Nov 2014 08:11:30 -0500
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.
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Received on Fri Nov 28 2014 - 05:00:02 PST
