[gmx-users] pressure based replica exchange

Jianguo Li ljggmx at yahoo.com.sg
Tue Dec 10 03:48:14 CET 2013

Dear All,

Is it possible to do pressure based replica exchange simulations in gromacs? Basically I want to do replica exchange simulations for my membrane system at different surface tensions. If I just set different pressures in the mpd file, then the mdrun will complain "systems are all the same, there is nothing to exchange". Is there any other parameters I need to set?

Thanks a lot!


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