Thank you for the response. But what is the default value of this closeness
arguement, is it mandatory to specify it ?
Thanks,
Bala
On Mon, Apr 18, 2011 at 12:34 PM, Kshatresh Dutta Dubey <kshatresh.gmail.com
> wrote:
> Dear Bala,
>
> nice to see u. Actually, closeness argument signifies how far two
> water/solvent molecules are. The smaller value of closeness will result
> more
> concentration of wat/solvent.
> On Mon, Apr 18, 2011 at 3:53 PM, Bala subramanian <
> bala.biophysics.gmail.com
> > wrote:
>
> > Friends,
> > I use the following syntax to solvate my solute. I would like to know
> what
> > is the use/significance of the closeness arguement in solvateoct command.
> > Kindly enlighten me on the same.
> >
> > solvateoct a TIP3PBOX 15.0
> >
> > Regards,
> > Bala
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
>
> **************************************************************************************************************************
> Kshatresh Dutta Dubey
> Senior Research Fellow (SRF)
> Biophysics Unit,
> Department of Physics
> DDU Gorakhpur University
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 18 2011 - 04:00:04 PDT
