[gmx-users] can i run .tpr using Gromacs 4.5.3(has parallel) in cluster computer; the .tpr was created using gromacs 4.0.7 in my desktop (without parallel)

2011-01-26 Thread gromacs
Hi guys, I created my .tpr through my own desktop (without parallel) using gromacs 4.0.7. can i run .tpr parallelly using Gromacs 4.5.3(has parallel) in cluster computer?? I want creat all my .tpr files in my own computer, and then run on HPC (High performance computer). Thanks --

Re: [gmx-users] can i run .tpr using Gromacs 4.5.3(has parallel) in cluster computer; the .tpr was created using gromacs 4.0.7 in my desktop (without parallel)

2011-01-26 Thread Roland Schulz
Yes. But it is better to use the same version. Otherwise you can't set all parameters (e.g. nstcalcenergy) Roland 2011/1/26 gromacs ptf1...@163.com Hi guys, I created my .tpr through my own desktop (without parallel) using gromacs 4.0.7. can i run .tpr parallelly using Gromacs