<t>Hi John,<br/> <br/> Thank you for the response.<br/> <br/> I was trying to run the test suite as recommended in the README file. The test I am running is located in <br/> sanderOpenMM_0.2.0/tests/acetamide/runSander.sh<br/> <br/> Here is the peptide.crd file<br/> <br/> 9<br/> 1.8031844 -5.0919278...

<t>Hi everyone,<br/> <br/> I have been trying to install & test the sanderOpenmm version on our cluster. The cluster has a Ubuntu 10.04 OS. The login node has all the softwares installed while the GPUs are on the compute nodes. Amongst the compute nodes, we have 2 nodes with 1 Tesla1060 each, 2 ...