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Search found 7 matches
- Sat Oct 01, 2016 9:28 pm
- Forum: Molmodel: SimTK molecular modeling API
- Topic: Molmodel trunk updated to use Simbody 3.0
- Replies: 3
- Views: 1345
Re: Molmodel trunk updated to use Simbody 3.0
Does Molmodel work with the latest Simbody, 3.5.4? I'm not sure how to set all the options for Simbody_*.
- Fri Nov 01, 2013 3:51 am
- Forum: OpenMM
- Topic: OS X Mavericks?
- Replies: 19
- Views: 3229
Re: OS X Mavericks?
On another machine without CUDA: pauling14:examples admin$ python testInstallation.py Failed to import OpenMM packages: dlopen(/Library/Python/2.7/site-packages/simtk/openmm/_openmm.so, 2): Symbol not found: __ZN6OpenMM13CustomGBForce11addFunctionERKNSt3__112basic_stringIcNS1_11char_traitsIcEENS1_9a...
- Fri Nov 01, 2013 3:46 am
- Forum: OpenMM
- Topic: OS X Mavericks?
- Replies: 19
- Views: 3229
Re: OS X Mavericks?
I used the precompiled libraries. Maybe I can try a recompile.
- Thu Oct 31, 2013 2:05 pm
- Forum: OpenMM
- Topic: OS X Mavericks?
- Replies: 19
- Views: 3229
OS X Mavericks?
Has anybody successfully installed and run OpenMM on a Mac using OS X Mavericks? I am using the Apple version of gcc. bash-3.2$ gcc --version Configured with: --prefix=/Library/Developer/CommandLineTools/usr --with-gxx-include-dir=/usr/include/c++/4.2.1 Apple LLVM version 5.0 (clang-500.2.79) (based...
- Tue Apr 10, 2012 6:32 am
- Forum: OpenMM
- Topic: Any easy way for Rigid-body MD in OpenMM?
- Replies: 8
- Views: 1601
Re: Any easy way for Rigid-body MD in OpenMM?
Good, I'll give it a shot.
- Wed Apr 04, 2012 7:47 pm
- Forum: OpenMM
- Topic: Any easy way for Rigid-body MD in OpenMM?
- Replies: 8
- Views: 1601
Re: Any easy way for Rigid-body MD in OpenMM?
Yes, that would be great!
- Wed Apr 04, 2012 1:55 pm
- Forum: OpenMM
- Topic: Any easy way for Rigid-body MD in OpenMM?
- Replies: 8
- Views: 1601
Re: Any easy way for Rigid-body MD in OpenMM?
I have a related question. I would like to do a docking-like calculation with a rigid receptor and flexible ligand, so that the ligand is sampled from the Boltzmann distribution for a given receptor conformation. So it isn't quite a rigid-body MD. Would OpenMM be able to do this type of calculation?