[gmx-users] RE: can gmx be used to simulation NaCl

Vitaly Chaban vvchaban at gmail.com
Sat Jun 28 08:47:22 CEST 2008

I see no problems to use gromacs for it. You make find the parameters
in /top/ions.itp (include ions.itp to your topology) in your gromacs directory.
Then you can use 'genconf' to create a system of the desired size.

> hi gmx users,
>          Can Gromacs be used to simulate NaCl crystallization and melting?
> If it could, where can I find pdb/top/itp etc. input files? Thanks in
> advance.
> Best regards,
> William

Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svobody sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban

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