Search found 189 matches

by Samuel Flores
Thu Jul 07, 2016 2:04 pm
Forum: Simbody: SimTK multibody dynamics API
Topic: Odd issue with Lapack
Replies: 10
Views: 1173

Re: Odd issue with Lapack

Hi Christopher, Thanks, that got me further! I was able to build the libraries without further errors. However I could not build the tests. I got what look like c++11 errors, appended below. But I believe I am setting the c++11 flags correctly. In a probably unrelated issue, I also can't compile mol...
by Samuel Flores
Wed Jul 06, 2016 10:15 pm
Forum: Simbody: SimTK multibody dynamics API
Topic: Odd issue with Lapack
Replies: 10
Views: 1173

Odd issue with Lapack

Guys, I am compiling simbody on a server I haven't used in a while. I am having some odd issues finding lapack: CMake Warning at CMakeLists.txt:510 (message): Could not find blas/lapack I figured out it is lapack and not blas that is the problem. Here are my Lapack related cmake settings: LAPACK_Acc...
by Samuel Flores
Wed Jun 29, 2016 2:39 pm
Forum: MMB (formerly RNABuilder)
Topic: Exercise 3: Threading Azoarcus to Tetrahymena Ribozyme P6ab
Replies: 5
Views: 777

Re: Exercise 3: Threading Azoarcus to Tetrahymena Ribozyme P6ab

Actually it is not necessary to do the insertion on the target strand. You can make the insertion directly on the folded molecule if you invoke matchGapped. This will work even if the insertion is in the middle of the chain. Since MMB does not know where to put the inserted residue, it will be at a ...
by Samuel Flores
Wed Jun 29, 2016 1:16 am
Forum: MMB (formerly RNABuilder)
Topic: Exercise 3: Threading Azoarcus to Tetrahymena Ribozyme P6ab
Replies: 5
Views: 777

Re: Exercise 3: Threading Azoarcus to Tetrahymena Ribozyme P6ab

Hi Xiong An, You can make insertion mutations with MMB. If they are in the termini you can probably just use "insertResidue" for the fully folded structure as per the below script (which is a variation of the "commands.P6ab-threading.dat" that you were playing with earlier. However in the more gener...
by Samuel Flores
Tue Jun 28, 2016 5:58 am
Forum: MMB (formerly RNABuilder)
Topic: Exercise 3: Threading Azoarcus to Tetrahymena Ribozyme P6ab
Replies: 5
Views: 777

Re: Exercise 3: Threading Azoarcus to Tetrahymena Ribozyme P6ab

What are you working on by the way? I like to hear what myusers are using MMB for, if it is not secret.

sam
by Samuel Flores
Tue Jun 28, 2016 5:58 am
Forum: MMB (formerly RNABuilder)
Topic: Exercise 3: Threading Azoarcus to Tetrahymena Ribozyme P6ab
Replies: 5
Views: 777

Re: Exercise 3: Threading Azoarcus to Tetrahymena Ribozyme P6ab

Hi Lee, You are absolutely right! Somehow the contents of commands.P6ab-threading.dat were overwritten, at least in the latest release of MMB. Thanks for catching this and bringing it to my attention. Please replace the contents of that file with what follows below. # There are also other inconsiste...
by Samuel Flores
Tue Feb 23, 2016 2:00 pm
Forum: OpenMM
Topic: undefined reference to `operator new(unsigned long)'
Replies: 3
Views: 226

Re: undefined reference to `operator new(unsigned long)'

For reference, I am having similar issues for simbody: Building CXX object SimTKcommon/tests/CMakeFiles/BNTTest.dir/BNTTest.cpp.o [ 10%] Building CXX object SimTKcommon/tests/CMakeFiles/SpatialAlgebraTest.dir/SpatialAlgebraTest.cpp.o Linking CXX executable ../../SFMTTest CMakeFiles/SFMTTest.dir/SFMT...
by Samuel Flores
Tue Feb 23, 2016 1:41 pm
Forum: OpenMM
Topic: undefined reference to `operator new(unsigned long)'
Replies: 3
Views: 226

Re: undefined reference to `operator new(unsigned long)'

Interestingly, leaving out this flag induces the error even sooner: Building CXX object platforms/reference/tests/CMakeFiles/TestReferenceCustomCompoundBondForce.dir/TestReferenceCustomCompoundBondForce.cpp.o Linking CXX executable ../../../TestReferenceCMMotionRemover CMakeFiles/TestReferenceCMMoti...
by Samuel Flores
Tue Feb 23, 2016 1:02 pm
Forum: OpenMM
Topic: undefined reference to `operator new(unsigned long)'
Replies: 3
Views: 226

undefined reference to `operator new(unsigned long)'

Hi Peter, I am having build issues on a new server (OS: Scientific Linux release 6.7 (Carbon)) which I hope you can help diagnose. Building and linking without tests completes without error, but there are downstream problems with simbody and MMB that made me take a closer look. When I build with tes...
by Samuel Flores
Sun Feb 14, 2016 3:28 pm
Forum: Simbody: SimTK multibody dynamics API
Topic: Stage::getName(): illegal level error
Replies: 5
Views: 315

Re: Stage::getName(): illegal level error

.. the latter is actually on a second machine. suspecting changes in the environment, I am trying to compile on another cluster that I haven't used in a while.

sam