exercises:2018_ethz_mmm:pmf
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exercises:2018_ethz_mmm:pmf [2018/05/25 14:19] – dpasserone | exercises:2018_ethz_mmm:pmf [2018/05/25 14:42] – dpasserone | ||
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<note important> | <note important> | ||
- | - Edit the input file to run 50 picoseconds, | + | - Edit the input file to run 50 picoseconds, |
+ | - **REPLACE _NSTEPS_ WITH THE NUMBER OF STEPS AND _TEMP_ WITH THE DESIRED TEMPERATURE IN THE md_temp.inp FILE** | ||
+ | - The length of the simulation is small to get converged averages, but the run will thus last a few minutes per distance making the exercise feasible on 16 cores. | ||
- Now run the chain of simulations | - Now run the chain of simulations | ||
< | < | ||
Line 111: | Line 113: | ||
</ | </ | ||
</ | </ | ||
+ | <note important> | ||
+ | Check the already finished runs in REF_300: | ||
+ | < | ||
+ | cd REF_300 | ||
+ | cp ../ | ||
+ | ./ | ||
+ | gnuplot | ||
+ | gnuplot > plot " | ||
+ | </ | ||
+ | </ | ||
<note warning> | <note warning> |
exercises/2018_ethz_mmm/pmf.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1