Hello Joy and Mark,

Thanks for your comments.

I think Mark was suggesting to use

integrate verlet (and not integrator verlet). Thanks for the tip. This prevented the program from using the default setting (Beeman) in the source file, dynamic.f.

-Akila

We have installed OpenMM accelerated TINKER (tried both v5.05/OpenMM3 and v6/OpenMM4) on our GPU workstation. We are trying to use the AMOEBA polarizable force field for a system of water molecules. When using OpenMM accelerated Tinker executable, dynamic_openmm with the input files from Tinker, wat...

<t>I have installed OpenMM (from source) in /usr/local/openmm. The HelloArgon file in OpenMMPreview3-Source within /usr/local/openmm compiles fine. I have installed the additional examples OpenMM-Examples in my home directory and have added /usr/local/openmm/lib to LD_LIBRARY_PATH. But running make ...