[gmx-users] CHCl3

[David van der Spoel]

On Thu, 2 Jan 2003, [iso-8859-1] Tanos C. C. França wrote:

>
>
>	Hi folks,
>
>	I need to perform a simulation in a box of CHCl3 but I don't know how
>should I proceed to build a box of CHCl3 instead of a box of water. Could
>someone help me ?
Build one manually first and minimize it. (The force field parameters are
already there in ffG43a1). Then build a box using genconf and equilibrate
it at appropriate temperature.

>	I wish a happy new year to everybody.
>	Tanos.
>
>
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