[gmx-users] Replica exchange checkpoint error

金 瑞涛 jinruitao at hotmail.com
Fri Jan 26 04:08:15 CET 2018

Dear Gromacs users and developers

I am currently facing a problem from one of my simulations. I am doing replica exchange simulation which has 48 subsystems, when I started the simulation, everything wss fine, but when I restarted them from checkpoint file, they looked running, were keeping generating log file, trr file, edr file, etc, but not checkpoint file were generated at all.

The version I am using is gromacs/5.1.3, any idea what is going wrong with simulations of grimaces?

Best regards


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