[gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used?

obviously not as fast as without tables (~25ns/day). If there are other suggestions for speeding up the simulations with a large number of tables (user-defined potentials), I would be more than grateful. Again, thanks in advance for your help! Eli >>Musselman, Eli D wrote: >>

[gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used? (This re-post is easier to read)

Dear GROMACS users, I am hoping to get some information from you experts regarding the use of user-defined potentials (table*.xvg). With the help of the GROMACS manual and several posts in the mailing list, I have been able to make user-defined potential functions that I would like to apply to

[gmx-users] Is it normal for mdrun to go very slow when a large number of 'energygrps' & user-defined potentials are used?

Dear GROMACS users, I am hoping to get some information from you experts regarding the use of user-defined potentials (table*.xvg). With the help of the GROMACS manual and several posts in the mailing list, I have been able to make user-defined potential functions that I would like to apply t