AMBER Archive (2009)

Subject: Re: [AMBER] DMF solvent box

From: FyD (
Date: Sat Sep 19 2009 - 01:36:20 CDT

Hi Abhishek,

> Now I want to equilibrate the box (at 298K and 1 atm pressure) to
> get the correct density.  Then I will mix it with MEOH. How to do
> it. Thanks for your great help.

I would first minimize the box, then equilibrate at constant volume
and then at constant pressure. regards, Francois

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