Hi all! I am trying to run the dppc example located in ftp://ftp.gromacs.org/pub/benchmarks/gmxbench-3.0.tar.gz, with the gpu version of gromacs, when I run it I get
WARNING: OpenMM does not support leap-frog, will use velocity-verlet integrator. ------------------------------------------------------- Program mdrun_sg, VERSION 4.5.3 Source code file: /usr/src/redhat/BUILD/gromacs-4.5.3/src/kernel/openmm_wrapper.cpp, line: 555 Fatal error: OpenMM supports only the following methods for electrostatics: NoCutoff (i.e. rcoulomb = rvdw = 0 ),Reaction-Field, Ewald or PME. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- but when I compare the mdp file with the examples in http://www.gromacs.org/Downloads/Installation_Instructions/Gromacs_on_GPUs(impl_1nm, for example), the integrator is the same integrator = md -- Camilo Andrés Jiménez Cruz
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