<r>I have Nvidia GTX260 graphic card and<br/> AMD Phenom(tm) 9850 Processor 2.51GHz CPU.<br/> <br/> My test protein have 129 Amino Acids, 1321 atom(heavy atom + hydrogen atom).<br/> <br/> I use coulomb type 'cut-off'.<br/> <br/> And I include not implicit but explicit water.<br/> (./editconf -f mini...

Thanks, your reply!

When I run mdrun-openmm, I can see that

OpenMM Platform: Cuda
Cuda device: 0
CudaUseBlockingSync: true
starting mdrun 'LYSOZYME in water'
2500 steps, 5.0ps.

<t>Hi, i have another question!<br/> <br/> I installed Openmm-Gromacs in linux CentOS 5.x<br/> And I tested CPU and GPU(NVIDIA) running time.<br/> <br/> I expected GPU running time is shoter than CPU.<br/> Then, the running time of CPU more shorter than GPU.<br/> <br/> result is below<br/> ---------...

<t>Hi, <br/> <br/> I tried to install Openmm-Gromacs in Centos linux x64, NVIDIA graphic card (GTX 260).<br/> I installed FFTW, Gromacs4, OpenMM and copied mdrun-openmm, params.agb and setted PATH in step by step.<br/> <br/> When I runned the Gromacs4 (mdrun), I can see results(trr, gro). But when I...

<t>Hi, I appreciate your reply and I have another question.<br/> <br/> I tested OpenMM Zephyr in Window XP and OpenMM Zephyre was performed well(using CPU and GPU(one Graphic card)). <br/> <br/> I've understanded that CUDA supprt multi Graphic cards.<br/> Nevertheless I expect more faster run time, ...

<t>hi<br/> <br/> I have tested OpenMM Zephyr. In my window OS computer(my com : window xp 32bit, linux(CentOS 5.x.x 64bit) dual boot), both CPU and GPU was performed well.<br/> <br/> In linux(CetOS(redhat)5.x.x , 64bit)<br/> CPU was performed well, but GPU wasn't perforemd.<br/> CUDA and VMD install...

<t>Hi.<br/> <br/> I installed OpenMM Zephyr and have tested sample pdb file. <br/> <br/> But, when I tried to test my PDB file this program didn't work(Error while converting PDB file)<br/> I tried to change like OpenMM Zephyr manual<br/> (CYS->CYN<br/> HIS->HID<br/> LYS->LYP<br/> and N-ter, C-ter.)...

<t>Hi. I have a question.<br/> <br/> I am trying to install Openmm from the binaries on a window xp & NVIDIA. I installed Visual studio 2005(a.k.a VS 8), CUDA 2.2 and .NETFRAMEWORK.<br/> And I set the System variabl Path like the 'OpenMM Installation Instructions'<br/> <br/> But, when I run the ...