[gmx-users] regarding Lorentz-Berthelot mixing rules

[deepak bapat]

Dear David and Mark

Thank you.

Deepak

On Thu, Apr 14, 2016 at 5:34 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> On Thu, Apr 14, 2016 at 1:05 PM deepak bapat <dubapat at gmail.com> wrote:
>
> > Dear gmx-users,
> >
> > Is it possible to use customized Lorentz-Berthelot rules?
>
>
> Not in so many words.
>
>
> > In one of the
> > research articles i found that LB factors were modified by multiplying
> by a
> > constant value.
> >
>
> You can do such things by manipulating the parameters that go into the
> rule, but you can't change the implementation of the rule in the code.
>
>
> > How can i incorporate such changes in my mdp file?
> >
>
> You can't - only in the force-field and/or molecule descriptions.
>
> Mark
>
>
> >
> >
> >
> > --
> > Deepak
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>



-- 
Deepak U. Bapat