<t>There are some files in the /usr/local/openmm/lib<br/> <br/> and I don't know how to make sure that everything is compiled in a consistent way. My system is 64bit and I install the 64bit CUDA,how to check I compile openMM with release or debug? When I was in the cmake interface I just press "c" a...

<t>Dear all,<br/> I have the same problem. My mdrun-openmm produces nans, but mdrun is ok. I set nstxout to 1 as Peter saids to check what happens, but the x output is normal only 17 steps (my simulation is 50000 steps) ,then is nan, and the other ouputs (et energy and v)is still nan . I can compile...

<t>Dear all,<br/> I want to compiles openmm with source code,so I do the follows.(I can compile all the exampls download from this website perfectly,but my system with nan outputs if I use the pre-compied openmm)<br/> <br/> (1)I remove the document which install openmm with pre-compiled files.But I ...

Thank you Christopher, I download the new vertion and try again, everything goes well ,thank you for your attention.

<t>Dear all,<br/> <br/> I have a problem when I use mdrun-openmm to simulate a system contain about 40000 atoms.<br/> <br/> When I type :<br/> nohup mdrun-openmm -v -s b4md-openmm.tpr -deffnm sd-100-gpu &<br/> <br/> the progamme can run about 1hour but then give the error message:<br/> <br/> ==>...

<t>Dear all,<br/> <br/> I download the OpenMM1.1examples.zip(1072kB) Mar 04, 2010 from the website but when I unbzip it and <br/> type :make <br/> <br/> the promote is<br/> make: *** No targets specified and no makefile found. Stop.<br/> <br/> Here is my files in the OpenMM1.1examples documens ,wher...