[gmx-users] Resuming GROMACS simulation in a different computer?

Jorge Fernandez de Cossio Diaz cossio at cim.sld.cu
Tue Jun 9 20:07:23 CEST 2015


Suppose I have a GROMACS simulation that was running on a computer with a given number of processors. This run was interrupted for some reason. Now I want to resume it by using the checkpoint .ctp file, but I want to resume it in a different computer. The second computer can have a different number of processors that the first computer, different RAM, etc. Is this safe?
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