AMBER Archive (2005)

Subject: Re: AMBER: Trouble with example tutorial

From: David A. Case (case_at_scripps.edu)
Date: Thu May 12 2005 - 12:04:51 CDT

On Wed, May 11, 2005, Maciej wrote:

> I try to make example turorial
> "Thermodynamic integration calculations using sander
> Running the charging calculation in vacuum"
>
> Unit 9 Error on OPEN: eq1.x
>
> Where from that file eq1.x gets ?????????????

This is an "advanced" tutorial: it assumes that you already know how to
equilibrate the system and make starting coordinates. So, you will have to
run the equilibration yourself (see earlier tutorials for help).

...dac

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