#!/bin/csh -f
setenv FGPROCS 1
setenv POT GB
setenv PREFIX 1L2Y_MREMD
setenv OUT1FILE YES
#-----------------------------------------------------------------------------
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 THETPAR $DD/thetaml.5parm
setenv ROTPAR $DD/scgauss.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.1gab_3S_qclass5no310-shan2-sc-16-10-8k
setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
setenv SCCORPAR $DD/sccor_pdb_shelly.dat
setenv SCPPAR $DD/scp.parm
setenv PATTERN $DD/patterns.cart
#-----------------------------------------------------------------------------
$UNRES_BIN $*
