Hi There, I am trying to scale my system(system with 45000 atoms which is one protein molecule in water box) to run on more number of processor I have asked a number of related queries, but now I am getting warning pasted below...
Fatal error: Too many LINCS warnings (11587) - aborting to avoid logfile runaway. This normally happens when your system is not sufficiently equilibrated,or if you are changing lambda too fast in free energy simulations. If you know what you are doing you can adjust the lincs warning threshold in your mdp file, but normally it is better to fix the problem. and the same run is running well with 20 processor, but I got the error pasted above in aan attempt to run the same problem for 40 processor...and it followed by writing the intermediate step.pdb Can anybody suggest how should I tackle the problem, and what other option I can try in this scenario ? With Thanks, Vivek
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