Gerrit Groenhof wrote:
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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, s
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 m
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