<t>Dear Mark,<br/> Thanks for help,<br/> But even after copying the params.agb file the values remained zero.And even when i am running g_energy_openmm it giving error Energy file md_ener.edr not recognized, maybe different CPU?<br/> Trajectory file seems to be ok.<br/> So for purpose of analysis wh...

hello,
I was able to compile and install openmm version of gromacs Now when I am running all the values in md.log are 0 . I am using Amber99 force field.what could be probable reason for this ?

Thanks

hello,
I was able to compile and install openmm version of gromacs Now when I am running all the values in md.log are 0.I am using Amber99 force field.


Thanks
Vinod Jani

Hello Peter,
Thanks a lot,I was able to compile and run gromacs on GPUs.

Hello Jiri,
Thanks a lot , i was able to compile and run the gromacs

hi jiri,
i am facing a problem
"libcudpp.a when searching for -lcudpp not found"

when i am trying to install openmm, so can please mention the steps you followed while installation
Thanks
regards
Jani vinod

<t>hello peter,<br/> yes i followed all the steps you mentioned.the openmm test are passed<br/> following is the result<br/> 1/ 16 Testing TestFindExclusions Passed<br/> 2/ 16 Testing TestReferenceVerletIntegrator Passed<br/> 3/ 16 Testing TestReferenceHarmonicBondForce Passed<br/> 4/ 16 Testing Tes...

<t>hello peter ,Thanks a lot i was able to sucessfully compile the gromacs.<br/> Now when I am running mdrun on the console OpenMM Platform: Reference is printed and program halts over their nothing more is printed<br/> I have added both cuda and openmm lib path through LD_LIBRARY_PATH.<br/> So what...

<t>hello peter <br/> Now when i am trying to install new gromacs version<br/> its giving error undefined reference to openmm_init()<br/> i have added openmm include and lib path through flags.Also when i am commenting a line #define USE_OPENMM in md.c its compling properly but when i am such a compi...

<t>Hello peter,<br/> I have added the library path and now its showing<br/> OpenMM Platform: Reference this means its running on CPU.So is their any other way of submitting on GPUs.<br/> Secondly now when running on CPU its not generating<br/> any output.What could be reason for this?<br/> I have co...