[gmx-users] REMD:subsystems are not compatible.

[suhani nagpal]

Greetings

I'm running REMD with 96 replicas.
It has run till 7.3 ns after extending it once using

mdrun_mpi -s md_.tpr -multi 96 -replex 2000 -cpi state_.cpt -noappend


And if i put to restart this again it shows the error:

-------------------------------------------------------
Program mdrun_mpi, VERSION 4.5.5
Source code file: main.c, line: 249

Fatal error:
The 96 subsystems are not compatible.


Kindly assist me regarding this.
















Suhani
SRF
CSIR-IGIB, India