[gmx-users] Is there an easy way to increase the energy of bonds, angles, etc?

[Justin A. Lemkul]

Arthur Roberts wrote:
> Hi, all,
> 
> Is there a way to increase the energy of bonds, angles, etc.  without 
> doing it manually?  I am looking for a parameter in the mdp file to do 
> this.  Your help is greatly appreciated.
> 

No.  Such a manipulation requires changes to the topology.

-Justin

> Sincerely,
> Audie
> 
> Arthur "Audie" Roberts
> 7254 Shoreline Dr. #130
> San Diego, CA 92122
> cell: 206-850-7468
> office: 858-822-7804
> fax: 858-246-0089
> email: aroberts99163 at yahoo.com
> skype=aroberts92122
> 
> 
> 
> 
> 
> 
> 

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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