AMBER Archive (2005)

Subject: Re: AMBER: The effect appling paches

• Next message: Ray Luo: "Re: AMBER: solvent accessible surface area"
• Previous message: David A. Case: "AMBER: Amber compilation problem"
• In reply to: Yagi Toru: "AMBER: The effect appling paches"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

On Tue, Apr 19, 2005, Yagi Toru wrote:
>
> I'm writing about a current patch, bugfix.all (bugfix1 - 42)
>
> After applied the patch, bugfix.all,
> the results of some tests changes from original results.
>
> For example, I show a part of $AMBERHOME/test/noper/mdout.cap.dif file
> 76c76
> < Etot = -3409.9453 EKtot = 2056.0343 EPtot =
> -5465.9796
> ---
> > Etot = -3404.4787 EKtot = 2056.0343 EPtot =
> -5460.5130

This is OK: somehow the test case did not get updated when bugfix.33 was
posted. I will fix this -- thanks for the report.

....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu

• Next message: Ray Luo: "Re: AMBER: solvent accessible surface area"
• Previous message: David A. Case: "AMBER: Amber compilation problem"
• In reply to: Yagi Toru: "AMBER: The effect appling paches"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]