[gmx-users] PME or SPME?

Jones de Andrade johannesrs at gmail.com
Mon Aug 20 23:23:19 CEST 2007


Hi all.

Well, I have some kind of a "didatic" doubt: Ok, from what I can understand
up to now, PME uses lagrande interpolation for the genaration of the grid,
while SPME uses cardinal B-splines to do so.

Is it correct? And if, so, gromacs implements PME or SPME (the manual states
PME, but also states B-splines)?

Thanks a lot in advance!

Jones

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