Re: [gmx-users] g_wham -sym

Thanks, I defined a new 0.0 position by -zprof0, and shifted the profile energy to a new 0.0. # g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kca -zprof0 -1.081898 -sym But -sym gets me an error: Fatal error: Cannot symmetrize profile around z=0 with min=-1.312664 and max=-1.08

[gmx-users] About running gromacs in GPU

Dear Justin Thank you for your previoue reply I have prepared a   .tpr file to run it run Successfully in CPU But when i use the Same .tpr files to run in GPU , It have not run successfully What is  reason ? What Command Should I give When I run .tpr file in GPU I  Hope it may be mdrun -s

Re: [gmx-users] About running gromacs in GPU

On 8/10/13 11:50 AM, vidhya sankar wrote: Dear Justin Thank you for your previoue reply I have prepared a .tpr file to run it run Successfully in CPU But when i use the Same .tpr files to run in GPU , It have not run successfully What is reason ? What Command Should I give When I run .