You should use neither, at least not for Coulomb. Only PME can be used for
systems containing charges. For system containing exclusively neutral
molecules, you can use a shift function, if the cut-off is longer than the
range of the interaction. For water that would be roughly 1.2 nm.
Be that as it may, but for the more limited question discussed here
(stability of NVE simulations) it seems that either a reasonable cutoff
method ("shift") or PME can be used.
_________________________________________________________________
Dags att rensa vinden? Eller fylla den? http://www.msn.se/koposalj
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
