On Fri, Jan 23, 2015 at 12:14 PM, <agarai.physics.iisc.ernet.in> wrote:
> Dear Amber users,
>
> I am interested to pull a protein from one end, keeping the other end
> fixed, with a force that increases linearly with time using AMBER. I need
> some guidance regarding how to do this. Can someone help me regarding
> this??
>
You can use steered molecular dynamics to "pull" along a particular
dimension.
Look at page 390 (chapter 21 section 7) of the Amber 14 manual for
details. Note -- you do not actually need to fix one end in space for this.
All the best,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sat Jan 24 2015 - 12:30:02 PST
