[gmx-users] pull code

acorrea at unisa.it acorrea at unisa.it
Tue Jun 8 13:07:00 CEST 2004

I just tried to performe PMF calucalition.
I want to constraint the distance between only two 
atoms that are part of the same molecule for which no bonds are constrained.

Is it possible to constraint the distance between two atoms belonging to the 
same molecule and monitor the constrained force with pull code?
I read on the manual VERSION 3.2 (page 118):

"constraint force can be only be calculated between molecules or groups of
molecules (..). If a constraint force is wanted between two atoms, this can be
done through the free energy code."  


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