[gmx-users] Changing position restraints force in GMX

[Justin Lemkul]

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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