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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