AMBER Archive (2005)

Subject: Re: AMBER: Using amber4 generated prep files in amber8?

From: David A. Case (case_at_scripps.edu)
Date: Thu May 19 2005 - 10:31:54 CDT


On Thu, May 19, 2005, Simon Whitehead wrote:

> I am new to molecular dynamics and initally did some work using amber4. I
> have since upgraded to amber8 and am unsure whether i can use the prep files
> i generated in the old version of amber with leap in amber8 and if so how
> this is done?

I don't think there have been any changes in the prep file format in the past
20 years or so, but I can't be sure. You could either just try it (tm),
and/or check your files against the file format descriptions that you can find
at the Amber web page.

....dac

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