[gmx-users] The 20 subsystems are not compatible (REMD)

2013-11-26 Thread Pacho Ramos
Hello I am having a lot of problems to get a REMD simulation end, after running for some time, some replicas are interrupted without writting a state file, leading then to: The 20 subsystems are not compatible error on next run. I have run gmxcheck -f with all state files and I found that the

Re: [gmx-users] The 20 subsystems are not compatible (REMD)

2013-11-26 Thread Pacho Ramos
2013/11/26 Mark Abraham mark.j.abra...@gmail.com The combination of the current and _prev checkpoint files is supposed to guarantee the existence of a set of .cpt files whose time stamp matches. This should permit you to back up all your files, rename some files appropriately and move on.