VMD-L Mailing List

From: Leonardo Sepulveda Durán (leonardosepulveda_at_gmail.com)
Date: Mon Sep 26 2005 - 10:59:58 CDT

Other way is using packmol (http://www.ime.unicamp.br/~martinez/packmol/) of
Leandro Martinez. It can build pdbs of any mixture of solvents. it also can
take a protein and create a box with the desired number of solvent
molecules. But it only creates the system, not the psf. Nevertheless, having
the system it is posible to create the PSF using NAMD or CHARMM.

Leonardo.

On 9/26/05, weikai <weikai_at_ustc.edu> wrote:
>
> And How to do it ,such as THF and so on....... Thank you~
> --
> USTC Alumni Email System
>
>
> 

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Leonardo Andres Sepúlveda Durán
Graduado de Bioquimica
Universidad de Chile
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