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. 2014 Dec;70(2-3):139–153. doi: 10.1016/j.ymeth.2014.10.028
!--------------{∗minimise energy with internal coordinate dynamics∗}---------------
param nbonds repel = 0 end end
dynamics internal
itype=powell
nstep=2000
depred=1
end
write coor output=RES/noencsvdwdynint.pdb end
!--------------------------------------------------------------------------------------------