[gmx-users] Explicit Hydrogen LJ param

[V.V.Chaban]

It is easier to reproduce hydrogen bond parameters without LJ on hydrogen.



On Mon, Jun 15, 2015 at 12:57 PM, Marcelo Depólo
<marcelodepolo at gmail.com> wrote:
> Hi all!
>
> It might be a silly question, but I am wondering why explicit hydrogens do
> not have LJ parameters in Gromos forcefields (they are set 0), while HC
> hydrogens (aromatic) has some value:
>
> ;name at.num mass    charge ptype       c6           c12
>    HC    1      0.000      0.000     A   8.464e-05  1.5129e-08
>      H    1      0.000      0.000     A           0           0
>
> Best regards,
> --
> Marcelo Depólo Polêto
> Group of Structural Bioinformatics - Center of Biotechnology
> Student of MSc Cell and Molecular Biology - UFRGS (Brazil)
> B.Sc. Biochemistry - University of Viçosa (Brazil)
> --
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