[gmx-users] *** Spam ? ***Re: Changing position restraints force in GMX

[Sergio Manzetti]

Sounds complex! 

Thanks Justin 



Sergio Manzetti 

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From: "Justin Lemkul" <jalemkul at vt.edu> 
To: "gmx-users" <gmx-users at gromacs.org> 
Sent: Friday, September 15, 2017 1:59:33 PM 
Subject: *** Spam ? ***Re: [gmx-users] Changing position restraints force in GMX 

On 9/15/17 4:14 AM, Sergio Manzetti wrote: 
> Hi, has anyone experience with changing position restrains for DNA in GMX? In case, is it only to change the figure "1" to "0.75" for instance in the itp file? 
> 

If you want to change the magnitude of the restraints, you need to generate a 
new file. The "1" in the file is the restraint function type, not a prefactor 
(see the manual). 

-Justin 

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Justin A. Lemkul, Ph.D. 
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Virginia Tech Department of Biochemistry 

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