[gmx-users] Re: rvdw and rcoulomb seem irrelevent in the pull code

Justin MacCallum jlmaccal at ucalgary.ca
Mon Feb 10 19:40:16 CET 2003

Hi Kun-Lin,

I'm not sure how this is possible. The pull code has absolutely nothing
to do with the cutoffs. What mode were you using? Ie. umbrella sampling,
afm, etc... This seems very puzzling.


> Hi everyone:
>         I just encoutered something I though very weird.  It seemed to =
> me the cut-off radius for both van der Waals and Coulombic interations =
> are irrelevent when I used the pull code.  In other words, no matter =
> what values I assigned to rvdw and rcoulomb, the output file (pull.pdo) =
> seemed identical.  Only the rlist (cut-off radius for the neighbor =
> searching) is useful.  I'd very appreciate if you have any comments =
> about this issue.  Thank you!
> Kun-Lin, 2/9

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