From: Leandro Martínez (leandromartinez98_at_gmail.com)
Date: Wed Aug 18 2010 - 11:36:59 CDT
Hello Sara,
You can use our packmol package:
http://www.ime.unicamp.br/~martinez/packmol to build a PDB file containing your molecule solvated in any solvent
The user-guide and the examples in that site should guide you, but
I hope it helps,
Leandro.
On Wed, Aug 18, 2010 at 12:26 PM, sara <sara_15_s_at_yahoo.com> wrote:
>
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: Wed Feb 29 2012 - 15:54:25 CST
you want, provided you have the coordinates for a single solvent
molecule. After solvating your molecule, you can use psfgen to build
your topology and coordinate files for your simulation, as usual.
you can ask for help if needed, of course.
> Hi All
>
> if I want to solvate molecule in the other solvent ( except water) what I
> must to do?
>
> for example in methanol, is this change possible? and in what section I
> must do this changes? or anyother changes?
> Thanks
>
> Sara
>
>