Re: [gmx-users] Pull code with shuffle/sort options

Thank you Chris for providing recognition of this issue. -Steve Chris Neale wrote: I have encountered noticeable differences while using the pull code with the -shuffle -sort options in parallel, as opposed to running in serial or in parallel without the options. Using -shuffle -sort, the

[gmx-users] Pull code with shuffle/sort options

I have encountered noticeable differences while using the pull code with the -shuffle -sort options in parallel, as opposed to running in serial or in parallel without the options. Using -shuffle -sort, the dynamics of the molecule of interest appears to be unaffected by the pulling potential.