Search found 189 matches

by Samuel Flores
Thu Jul 16, 2015 11:26 am
Forum: OpenMM
Topic: compiling openmm with c++11 on OSX
Replies: 5
Views: 451

Re: compiling openmm with c++11 on OSX

Well, Simbody is now hard wired to compile to c++11. Of course, one can edit the CMakeLists.txt and turn that off. However I'm having problems with molmodel when I do that. All in all, it seems a good idea to keep up with standards, especially one that is now four years old.I think c++11 is a bit mo...
by Samuel Flores
Thu Jul 16, 2015 8:09 am
Forum: OpenMM
Topic: compiling openmm with c++11 on OSX
Replies: 5
Views: 451

compiling openmm with c++11 on OSX

Guys, I'm having trouble compiling OpenMM using the c++11 standard, on OSX 10.10. This appears by default not to be specified, but I need this for compatibility with simbody and molmodel, which apparently need to be built to this standard (I get compile errors if I try to build molmodel without -std...
by Samuel Flores
Thu Jul 16, 2015 7:56 am
Forum: Simbody: SimTK multibody dynamics API
Topic: c++11 oddness
Replies: 9
Views: 370

Re: c++11 oddness

I managed to get rid of the "no viable overloaded '=' " error by not copying ResidueInfo objects. I see that these are declared as references, so maybe they should not be copied in principle? In any case now compilation and linking proceed without any error messages. However I do get a seg fault, wh...
by Samuel Flores
Thu Jul 16, 2015 1:41 am
Forum: Simbody: SimTK multibody dynamics API
Topic: c++11 oddness
Replies: 9
Views: 370

Re: c++11 oddness

Hi Sherm, It is turning out to be a real saga to compile to the c++11 standard. The existing simbody and molmodel can build without compile or link errors. However certain operations which I took for granted before, are now stubbornly problematic. Right now I am struggling with the following. I buil...
by Samuel Flores
Sun Jul 12, 2015 12:06 am
Forum: Simbody: SimTK multibody dynamics API
Topic: c++11 oddness
Replies: 9
Views: 370

Re: c++11 oddness

Turns out my build was effectively looking at an older version of gcc. I'm able to build to c++11 fine now. I was able to get past all the compile and link errors. However I am now having runtime errors which are driving me nuts. On OSX (10.9.5) I am able to run MMB in Release mode with no problems,...
by Samuel Flores
Wed Jul 08, 2015 5:08 pm
Forum: Simbody: SimTK multibody dynamics API
Topic: c++11 oddness
Replies: 9
Views: 370

Re: c++11 oddness

For some reason my c++ does not recognize the -std=c++11 flag. I hacked molmodel and simbody to both take -std=c++0x , which hopefully is good enough. I don't have anyone writing code at the moment, unfortunately. I have been thinking of doing it myself, at least for MMB. Is this an easy thing to do...
by Samuel Flores
Wed Jul 08, 2015 1:29 am
Forum: Simbody: SimTK multibody dynamics API
Topic: c++11 oddness
Replies: 9
Views: 370

c++11 oddness

Guys, Does simbody need to be compiled with the -std=c++11 flag? Molmodel uses this flag, and it appears that using it plus some odd memory leaks. Actually I had to use -std=c++0x for some reason, rather than -std=c++11, even though I'm using gcc 5.1.0. At any rate, I would think it would be necessa...
by Samuel Flores
Mon Jun 22, 2015 5:07 am
Forum: Simbody: SimTK multibody dynamics API
Topic: Error linking to molmodel
Replies: 2
Views: 158

Re: Error linking to molmodel

I posted a reply but deleted it accidentally somehow. The only possibility I didn't rule out is that of old binaries, though the makefile is so simple as to seemingly make that unlikely. In any case I compiled it perfectly on a linux cluster, so I guess that will do for now. I do feel frustrated at ...
by Samuel Flores
Sun Jun 21, 2015 5:43 am
Forum: Simbody: SimTK multibody dynamics API
Topic: Error linking to molmodel
Replies: 2
Views: 158

Error linking to molmodel

Hi Sherm, I'm sure the answer to this problem is staring me in the face, but I have hacked at it for a while without success. I am trying to write a little program that uses PdbStructure(std::istream&), among other molmodel functions. However at link time I am told that the corresponding symbol does...
by Samuel Flores
Mon May 25, 2015 3:18 am
Forum: Simbody: SimTK multibody dynamics API
Topic: addRingClosingBond in molmodel
Replies: 4
Views: 228

Re: addRingClosingBond in molmodel

Hi Sherm, Thanks for your help. Following what you said, I figured out that ResidueInfo is loaded when the biopolymer is first polymerized, so I needed to explicitly add the prosthetic atoms afterwards. It's not done automatically by the bondCompound method. So I guess I have to make a loop to do th...