Dear All,
I have installed gromacs 4.5.3 on a cluster. I downloaded the
gromacs-4.5-GPU-beta2-X86_64 binaries and followed the following
instructions:
* INSTALLING FROM BINARY DISTRIBUTION:
0. Prerequisites:
- OpenMM (included in the binary release)
- NVIDIA CUDA libraries (version
Dear Jesmin,
On Tue, Aug 21, 2012 at 7:21 PM, jesmin jahan shraba...@gmail.com wrote:
Dear All,
I have installed gromacs 4.5.3 on a cluster. I downloaded the
gromacs-4.5-GPU-beta2-X86_64 binaries and followed the following
instructions:
Those binaries are extremely outdated. Please compile
Dear Szilárd
I have downloaded Gromacs 4.6 from git. But I saw that implicit
solvent feature is still not supported.
Features currently not supported by the new GPU and SSE kernels:
Implicit solvent (but this will still be supported on the GPU through OpenMM)
But I need the implicit solvent
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