Daily Archives: July 1, 2014

Tuesday 07/01/14

Posted on July 1, 2014 by admin

7:30 am – 12:25 am Goals finish probe making compute scaling of sub-paths through condensed sticky globules revise fig 2 for oligo secondaries write caption for fig 2 for olgio secondaries write new discussion section corresponding to fig 2 for … Continue reading →

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openMM simulation notes

Posted on July 1, 2014 by admin

Recommendations from Anton for avoiding exploding polymers Initial recommendations integrator choice: variableLangevin integrator recommended takes an error tolerance instead of a timestep variable (e.g. 10^-4) thermostat = high values high friction mass_scale = argument of init of simulation (see openmmlib.py) … Continue reading →

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