openmm-plumed
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openmm
OpenMM plugin to interface with PLUMED
I would like to clarify if `PlumedForce` uses periodic boundary conditions by default. I noticed that when I created a breakpoint and inspected the `PlumedForce` instance the only available method...
Address #49 : Providing a basic example script for running the plumed-openmm plugin in a basic metadynamics simulation. The script `examples/basic-example/plumed-metad-sim.py` is a single script contains reads in a system,...
Hi, I encountered a strange issue when using OpenMM + Plumed for an umbrella simulation between a protein and a DNA. I used the plumed to add a distance bias....
Hi openMM-plumed devs, I just compiled the openmm-plumed plugin on Summit (Oak Ridge), and I made some observations that I thought might be helpful to the community. 1) The openmm-plumed...
I have tried to install openmmplumed plugin V1 and V2 using conda. But both of them giving error "no module named openmmplumed". Does the installation require cmake compilation? My openmm...
Openmm-plumed version (via conda forge): 1.0 Plumed version (built from source): 2.9.0 Plumed installed via conda was removed as per issue #66, as I needed to build plumed with the...
Hi, I'm trying to get a non-standard module working in plumed so it looks like I need to compile both plumed and openmm-plumed from source and link them to openmm....
hi, I like install plumed plugin with last version of openMM (7.7), but not have clear as make it task. please, can help me.
After compiling plumed, openmm, and openmm-plumed locally, I would have thought that the force script utilizes plumed native parsing. However, I cannot reference the additional plumed modules through the plugin....
Hi, I found when I simulate a specific system with openmm plumed on GPU by CUDA, the plumed output, which should be written to COLVARS, is actually written to bck.0.COLVARS...
