setenv PREFIX 1L2Y_MD
setenv OUT1FILE YES
#-----------------------------------------------------------------------------
-#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
-setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe
#-----------------------------------------------------------------------------
setenv DD /users/pk376/unres-git/unres/PARAM
setenv BONDPAR $DD/bond.parm
setenv TORPAR $DD/torsion_631Gdp.parm
setenv TORDPAR $DD/torsion_double_631Gdp.parm
setenv ELEPAR $DD/electr_631Gdp.parm
-setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc
+setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
-#setenv SCCORPAR $DD/rotcorr_AM1.parm
setenv SCCORPAR $DD/sccor_pdb_shelly.dat
setenv SCPPAR $DD/scp.parm
setenv PATTERN $DD/patterns.cart