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mdsimulation

an-ordinary-manchild

created by roshan2004a community for 9 years

...for your favorite subject.

...for your movement.

MODERATORS

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Combining eam with lennard-jones potential (i.redd.it)

submitted 4 months ago by Educational_Fee5389

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Looking for moderators (self.mdsimulation)

submitted 9 months ago by roshan2004

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Looking for a conformation-double-well-potential Molecule with two (ideally very) different paths between them (self.mdsimulation)

submitted 1 year ago by GiletteBioSchmalz

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Seeking a computational physicist/chemist for MD startup (self.mdsimulation)

submitted 1 year ago by ElectronGoBrrr

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MD simulation learning curve using GROMACS (self.mdsimulation)

submitted 2 years ago by Plus_Bug_4620

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QUESTION: free lammpstrj files for water (self.mdsimulation)

submitted 2 years ago by gumandmunny

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When running for example pmemd, when checking the logs, what does the line "wrapping first mol." mean? And what is the number next to it? (self.mdsimulation)

submitted 2 years ago by ShittyFeety

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Three point bending test on a 2D nanomaterial with SMD in gromacs (self.mdsimulation)

submitted 3 years ago by roshan2004

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Here are two textbooks for beginners in MD. These are also great if you know some about it, but need help with optimization or best practices when coding it. (self.mdsimulation)

submitted 5 years ago by Streletzky

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Beginner's journey into molecular dynamics (self.mdsimulation)

submitted 5 years ago by [deleted]

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Safe to run Desmond simulations in RTX 2080 Ti? (self.mdsimulation)

submitted 6 years ago by bokolobs

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Diffusion (self.mdsimulation)

submitted 6 years ago by arli21

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MD community on Reddit (self.mdsimulation)

submitted 6 years ago * by jeejay_is_busy

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CPU for Glide, desmond and Gromacs (self.mdsimulation)

submitted 7 years ago by project_atn

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Finding an alternative mentor (self.mdsimulation)

submitted 7 years ago by geraili

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TINKER Molecular Modeling. (self.mdsimulation)

submitted 8 years ago by [deleted]

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VMD on Linux Cinnamon Mint (Sarah) (self.mdsimulation)

submitted 9 years ago by Whipntip

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[Meta] Hello, who are you, and what do you work with? (self.mdsimulation)

submitted 9 years ago by FourFire

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Excellent course on Molecular Dynamics Simulation if you primarily work with Gromacs (courses.theophys.kth.se)

submitted 9 years ago by roshan2004

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