Re: Chloroform Solvent Box

From: alessandro.pedretti_at_unimi.it
Date: Tue Nov 23 2004 - 14:19:11 CST

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Try to use VEGA ZZ, available for free at:

http://www.ddl.unimi.it

It includes some solvent clusters: acetone, ammonia, CH2Cl2, CHCl3, formaldehyde, methane, methanol, octanol-water, POPC crystal, POPC liquid, water.
The software is able to solvate your molecule placing it in a box or in a sphere and it can generate a solvent layer around your molecule also.
Best regards

Alessandro Pedretti

----- Original Message -----
From: Harindar Keer <hkeer_at_uci.edu>
Date: Tuesday, November 23, 2004 6:17 pm
Subject: namd-l: Chloroform Solvent Box

> Hi,
>
> I need chloroform as solvent box for MD simulations. Does someone
> already has equilibrated box of chloroform. It would be great help
> to me
> if someone can provide or tell if parameters are available.
>
> Many thanks,
> Harindar
>
>

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