setenv PREFIX 1L2Y_MREMD
setenv OUT1FILE NO
#-----------------------------------------------------------------------------
-setenv UNRES_BIN ../../../bin/unres_Tc_procor_new_em64_nh_hremd_92110.exe
+setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
#-----------------------------------------------------------------------------
-setenv DD ../../../PARAM
+setenv DD /users/adam/unres/PARAM
setenv BONDPAR $DD/bond_AM1.parm
setenv THETPAR $DD/theta_abinitio.parm
-setenv ROTPARPDB $DD/scgauss.parm
+setenv THETPARPDB $DD/thetaml.5parm
setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm
+setenv ROTPARPDB $DD/scgauss.parm
setenv TORPAR $DD/torsion_631Gdp.parm
setenv TORDPAR $DD/torsion_double_631Gdp.parm
setenv ELEPAR $DD/electr_631Gdp.parm