AMBER Archive (2007)

Subject: Re: AMBER: bug in nonbond_list.f (nee ew_setup.f)

From: David A. Case (case_at_scripps.edu)
Date: Fri Aug 03 2007 - 10:14:27 CDT

On Mon, Jul 02, 2007, Dan Kidger wrote:
>
> Both Amber8 and Amber9 contain the line
> nogrdptrs=nogrdptrs .or.( (nucgrd1 <= 2*nghb+2) .or. &
> (nucgrd1 <= 2*nghb+2) .or. &
> (nucgrd1 <= 2*nghb+2) )
> in subroutine setup_grids()
>
> This looks wrong since all three of the conditioned or-ed together are
> identical

Thanks for the report. At least part of this is now incorporated into
bugfix.36.

...regards...dac

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