X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_gab%2Funres.csh;h=375952095830db18acd26cc2d424106a8d9ab02a;hb=4281b07d63d8d213dc5af5bc447bdfcbf8aead07;hp=68f562a6997cd58c9a4f1e4700066260c29f5d33;hpb=59ccb87ee3cf984f400f362969613623be319541;p=unres.git diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/unres.csh b/examples/unres/new/microcanonical/RESPA/ff_gab/unres.csh index 68f562a..3759520 100755 --- a/examples/unres/new/microcanonical/RESPA/ff_gab/unres.csh +++ b/examples/unres/new/microcanonical/RESPA/ff_gab/unres.csh @@ -4,9 +4,10 @@ setenv POT GB setenv PREFIX 1L2Y_micro setenv OUT1FILE YES #----------------------------------------------------------------------------- -setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +#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 DD /users/aks255/newUNRES/unres/PARAM +setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm setenv THETPAR $DD/thetaml.5parm setenv ROTPAR $DD/scgauss.parm