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

From: Dan Kidger <>
Date: Mon, 2 Jul 2007 10:42:58 +0100

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

Should the latter two be nucgrd2 and nucgrd3 ?


Dr. Daniel Kidger, Technical Consultant, ClearSpeed Technology plc,
Bristol, UK
T: +44 117 317 2030
M: +44 7738 458742
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Received on Wed Jul 04 2007 - 06:07:15 PDT
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