[gmx-users] Changing position restraints force in GMX

Justin Lemkul jalemkul at vt.edu
Fri Sep 15 13:59:44 CEST 2017

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 A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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