VMD-L Mailing List

From: lara lara (lara.4884_at_gmail.com)
Date: Sat Oct 01 2011 - 07:17:27 CDT

Dear users !

I have read the solvate plugin

it mention to create the following files
-------
An equilibrated, cubic box of the solvent of choice (-spdb)
A psf file for the solvent cube (-spsf)
A topology file for all residue types in the solvent (-stop)
A key selection which will occur once in each solvent residue (eg., "name
OH2") (-ks)
The side length of the box (should be taken from the equilibration's
periodic cell (-ts)

-------

so , how to create these files for methanol ,

if any one can explain me in detail it will be useful.

On Sat, Oct 1, 2011 at 5:38 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Oct 1, 2011, at 7:45 AM, lara lara <lara.4884_at_gmail.com> wrote:
>
> > Dear Users !
> >
> > I would like to put the methanol box for my peptide
> >
> > can any one suggest me how to solve this
>
> Use the solvate plugin.
>
> Axel.
>
> >
> > thanks in advance
> >
>