[MMTK] MD with fixed atoms
chewaka.87 at gmail.com
Thu May 5 21:18:32 UTC 2011
Problem fixed. I just used the VelocityVerletIntegrator() instead of writing
it like in the MD integrator in python example. This way the universe keeps
updating and I can mantain fixed the atoms I want.
Now I have other problem when I try to save the MD. When I run the
Trajectory() script in the MMTK, I get the error 'NoneType' object has no
attribute 'name' in :
line 486, in _typeName
I'm trying to save the dynamics into the netCDF format using the universe
created by the UCSF chimera, as the dynamics already works. But neither
Conrad nor I knows which type do we need in order for Trajectory() to work.
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