Re: amber-developers: qmmm2/neb_gb ; ./Run.neb_link_atoms_qmgb2 crash on Sun

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From: David A. Case <case.scripps.edu>
Date: Mon, 27 Mar 2006 16:29:19 -0700

On Mon, Mar 27, 2006, Ross Walker wrote:
>
> > vlength = 1.0d0/sqrt(vlength) !DIVIDE BY ZERO
> > if (vlength<1000.0d0) then
> > vector(1:dim) = vector(1:dim)*vlength
> > else
> > vector(1:dim) = 0.d0
> > end if
>
> becomes:
>
> if (vlength>1.0d-6) then
> vlength = 1.0d0/sqrt(vlength)
> vector(1:dim) = vector(1:dim)*vlength
> else
> vector(1:dim) = 0.d0
> end if

fixed in CVS....dac
Received on Wed Apr 05 2006 - 23:49:35 PDT