AMBER Archive (2003)

Subject: RE: failure of minimization

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Mon Feb 24 2003 - 17:11:23 CST

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