4 setenv PREFIX 1L2Y_MREMD
6 #-----------------------------------------------------------------------------
7 setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe
8 #-----------------------------------------------------------------------------
9 setenv DD /users/pk376/unres-git/unres/PARAM
10 setenv BONDPAR $DD/bond.parm
11 setenv THETPAR $DD/thetaml.5parm
12 setenv ROTPAR $DD/scgauss.parm
13 setenv TORPAR $DD/torsion_631Gdp.parm
14 setenv TORDPAR $DD/torsion_double_631Gdp.parm
15 setenv ELEPAR $DD/electr_631Gdp.parm
16 setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
17 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
18 setenv SCCORPAR $DD/sccor_pdb_shelly.dat
19 setenv SCPPAR $DD/scp.parm
20 setenv PATTERN $DD/patterns.cart
21 #-----------------------------------------------------------------------------