[gmx-users] distance constrain

Uwe Richter urichter at jerini.de
Wed Dec 15 16:59:47 CET 2004

Hi Luciane,

this is an easy thing to do. You need a section [ distance_restraints ] 
in you topology
or itp file. The format is described in chapter 4.2 of the manual (for 
gromacs 3.1).
Note that you cannot define distance restraints between atoms in 
different molecules, so
if you want to do something like this, you need to define the two 
molecules within one
molecule section.


Luciane V. Mello wrote:

>Dear all,
>How would you constrain the distance between two atoms during the
>I've looked at genpr, but it fixes the atoms rather than restrains their
>Thanks in advance,
>gmx-users mailing list
>gmx-users at gromacs.org
>Please don't post (un)subscribe requests to the list. Use the 
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