Re: [AMBER] How to restrain atoms

From: Akihiro Yamane <>
Date: Fri, 28 Nov 2014 21:57:26 +0900

Thank you for your help, David. I'll try to use ibelly option.
Best Regards.


From: David A Case <
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

AMBER mailing list
Received on Fri Nov 28 2014 - 05:00:02 PST
Custom Search