[gmx-users] ramping force constants

D. Flemming Hansen flemming at pound.med.utoronto.ca
Wed Mar 5 20:07:19 CET 2008

Dear All,

I was wondering if there is a way to ramp (gradually change) a force 
constant during a simulation? For example, I introduce some distance 
restraints in my simulation, and I would like the force constant to be 
very small initially (to prevent the calculation from crashing), and 
slowly increase the force constant during the simulation - is there an 
easy way of doing so?

The only way I found to do this is to run a series of simulations - 
simply changing the disre_fc parameter in each step.


More information about the gromacs.org_gmx-users mailing list