4 setenv PREFIX 1L2Y_MREMD
6 #-----------------------------------------------------------------------------
7 #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe
8 #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
9 #setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
10 setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
11 #-----------------------------------------------------------------------------
12 #setenv DD /users/czarek/UNRES/export_v3/PARAM
13 #setenv DD /users/aks255/newUNRES/unres/PARAM
14 setenv DD /users/pk376/unres-git/unres/PARAM
15 setenv BONDPAR $DD/bond_AM1.parm
16 setenv THETPAR $DD/theta_abinitio.parm
17 setenv THETPARPDB $DD/thetaml.5parm
18 setenv ROTPARPDB $DD/scgauss.parm
19 setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm
20 setenv TORPAR $DD/torsion_631Gdp.parm
21 setenv TORDPAR $DD/torsion_double_631Gdp.parm
22 setenv ELEPAR $DD/electr_631Gdp.parm
23 setenv SIDEPAR $DD/scinter_${POT}.parm
24 setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
25 #setenv SCCORPAR $DD/rotcorr_AM1.parm
26 setenv SCCORPAR $DD/sccor_pdb_shelly.dat
27 setenv SCPPAR $DD/scp.parm
28 setenv PATTERN $DD/patterns.cart
30 #-----------------------------------------------------------------------------