AMBER Archive (2008)

Subject: Re: AMBER: RMSD restraint in umbrella sampling

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yes, using the targeted MD function. the details (and whether it is present)
depend on amber version, so check your manual.

On Thu, Sep 18, 2008 at 4:36 PM, <nurith_at_rice.edu> wrote:

> Hi,
>
> I am trying to run umbrella sampling on a reaction coordinate described as
> the RMSD w.r.t. some reference structure. Is there a way to do it in AMBER,
> similar to the CONS module in CHARMM?
> From the little documentation there is, I could only find how to make
> distance, angle and dihedral restraints. Can I also do RMSD?
>
> Thanks!
> N.
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• Next message: Jose Borreguero: "AMBER: help can amber couple part of the system to different heat bath?"
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