[gmx-users] ramping force constants
D. Flemming Hansen
flemming at pound.med.utoronto.ca
Wed Mar 5 20:07:19 CET 2008
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.
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