Re: [gmx-users] Problem with using distance restraints (disre) with PBC

Hi, I am sure what exactly you are trying to simulate, but your distances seem a bit large (8.1 nm) for a small peptide. Having your restraints _far_ off may cause a crash. Flemming On 5 Mar 2008, at 17:16, Grace Li wrote: Hello, I am having some trouble using distance restraints. My goal

[gmx-users] ramping force constants

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 slowl