Type: text/plain; charset="iso-8859-1"
Is there an implementation in gromacs for using a uniform neutralizing
plasma with PME, to avoid use of counterions?
Thank you
-Himanshu
Neutralization is done implicitly, by omitting out the zeroth plane
wavevector (m=0, see sec. 4.6 of the gmx manual). However, it is
advisable to use explicit ions always, as the neutralizing background
charge leads to artefacts.
BEst,
Gerrit
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
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