[gmx-users] How to specify .mdp file for position restrained simulation?

Peggy Yao peggy.yao at gmail.com
Tue Nov 20 07:30:51 CET 2007


How to specify the .mdp file in order to run position restrained
simulation? From the examples I found on the internet, it seems that
the only difference between the .mdp file for position restrained
simulation and the one for actual MD simulation is the simulation time
-- the position restrained simulation is much shorter. Is this
observation true in general?

If yes, usually, how long is enough for the position restrained simulation?

If not, how to specify the .mdp file for position restrained simulation then?

Thanks a lot!


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