The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Peter Eastman
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by Peter Eastman » Tue Jul 11, 2017 10:11 am
You've added three particle terms. Currently, the first one refers to particle 10, but you could change that:
Code: Select all
force.setParticleParameters(0, 15, params)
Now it refers to particle 15 instead of particle 10.
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Yan Zhang
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by Yan Zhang » Tue Jul 18, 2017 1:53 pm
Do you mean that I can do
and then
Code: Select all
force.setParticleParameters(0, 15, params)
and this force is applied to particle 15 instead of 10 after doing these?
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Peter Eastman
- Posts: 2593
- Joined: Thu Aug 09, 2007 1:25 pm
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by Peter Eastman » Tue Jul 18, 2017 1:55 pm
Exactly. Though like all changes, it only applies to newly created Contexts. Modifying a Force after the Context is already created won't affect it.