Sorry, abrupt sending, the coulombtype is the same
coulombtype = cut-off and constraints = all-bonds is the same. Any idea? 2011/1/27 Camilo Andrés Jimenez Cruz <camilo.jimen...@gmail.com> > 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 > > -- Camilo Andrés Jiménez Cruz
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