Re: change solvent

From: ehenriques_at_qui.uc.pt
Date: Thu Aug 19 2010 - 05:32:51 CDT

Quoting sara <sara_15_s_at_yahoo.com>:

Hi Sara,

You can do it with VMD: Extensions -> Modeling -> Add Solvation Box
(use nonstandard solvent). You need to provide the pdb, psf, and
topology files for a unit-box of your nonstandard solvent [you might
find what you need here
http://www.charmm-gui.org/?doc=archive&lib=csml ]

Hope it helps,

Elsa

>
> 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
>
>
>

-- 
Elsa S. Henriques                     e-mail: ehenriques_at_qui.uc.pt
Investigadora Auxiliar
Biologia Estrutural e Computacional (@CNC)
e Grupo de Química Estrutural (@CCC)
Cv15 - RMB Lab
Departamento de Química - Universidade de Coimbra
3004-535 COIMBRA                         Portugal
Tel.: +351 23 9852080 - ext.417
Fax : +351 23 9827703

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