X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2Funres.csh;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2Funres.csh;h=df38307fa3a0d6a7803608b883a3b50922dd2eba;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=e2a4fec781351fd411b496016a13a8e4b5e4deba;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git diff --git a/examples/unres/new/MREMD/ff_1l2y/unres.csh b/examples/unres/new/MREMD/ff_1l2y/unres.csh index e2a4fec..df38307 100755 --- a/examples/unres/new/MREMD/ff_1l2y/unres.csh +++ b/examples/unres/new/MREMD/ff_1l2y/unres.csh @@ -6,10 +6,12 @@ setenv OUT1FILE YES #----------------------------------------------------------------------------- #setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_newparm.exe #setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe -setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe +#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe #----------------------------------------------------------------------------- #setenv DD /users/czarek/UNRES/export_v3/PARAM -setenv DD /users/aks255/newUNRES/unres/PARAM +#setenv DD /users/aks255/newUNRES/unres/PARAM +setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond_AM1.parm setenv THETPAR $DD/theta_abinitio.parm setenv THETPARPDB $DD/thetaml.5parm