[gmx-users] Gradually increasing the force constant during restrained MD runs

Aditi Borkar aditi.borkar at gmail.com
Mon Jun 13 17:45:21 CEST 2011


Hello All!

I am running an MD simulation on RNA with orientation restraints. Instead of using a single force constant for the whole trajectory, I want to start with a very low force constant and increase it gradually and regularly up to a final suitably high value and then continue the simulation at this final value of force constant. 

Can you suggest if there is a way to do so in GROMACS?

Thanks!

Aditi


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