RE: failure of minimization

From: Ioana Cozmuta <ioana.nas.nasa.gov>
Date: Mon, 24 Feb 2003 15:11:23 -0800 (PST)

Hi amber users,

Could anyone please tell me what the following part of
$AMBERHOME/src/sander/set.f
refers to?

Thank you,
Ioana

**************************************************


c --- if this residue starts past the target atom, end the atom list c at
the end of the previous residue: c
            if (ipres(ires).gt.target) then
              iparpt(node) = ipres(ires) - 1
              go to 20
            end if
   10 continue
          write(6,*) 'Error in setpar: check code, input'
          call mexit(6,1)
   20 continue
Received on Mon Feb 24 2003 - 23:53:00 PST
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