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(parent: 0e66b43) | patch
MULTCONF examples
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Fri, 5 Oct 2012 12:27:04 +0000 (14:27 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Fri, 5 Oct 2012 12:27:04 +0000 (14:27 +0200)
commit53ada961b345266074e444a0316dc7c2422f52ea
tree640de09e182fef8c3b13121292c47183f838aab5tree | snapshot
parent0e66b437e1a9f9b5633ec73189e6ed6d9a67f89ecommit | diff
MULTCONF examples
35 files changed:
bin/unres/MD/unres_ifort_MPICH_GAB.exe diff | blob | history
bin/unres/MD/unres_ifort_single_GAB.exe diff | blob | history
examples/unres/new/MULTCONF/int/1aoy_csa_GB000.int [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval.inp [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval.intin [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval.out_GB [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval.out_GB000 [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval_GB.int [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval_GB.mol2 [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval_GB.pdb [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval_GB.stat [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval_GB000.int [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval_GB000.mol2 [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval_GB000.pdb [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_eval_GB000.stat [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min.inp [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min.intin [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min.out_GB000 [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min.out_GB001 [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min.out_GB002 [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min.out_GB003 [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min_GB000.int [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min_GB000.mol2 [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min_GB000.pdb [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/1aoy_min_GB000.stat [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/native.pdb [new file with mode: 0644] blob
examples/unres/new/MULTCONF/int/start_eval.pbs [new file with mode: 0755] blob
examples/unres/new/MULTCONF/int/start_min.pbs [new file with mode: 0755] blob
examples/unres/new/MULTCONF/int/unres_eval.csh [new file with mode: 0755] blob
examples/unres/new/MULTCONF/int/unres_eval_serial.csh [new file with mode: 0755] blob
examples/unres/new/MULTCONF/int/unres_min.csh [new file with mode: 0755] blob
source/unres/src_MD/Makefile_MPICH_ifort diff | blob | history
source/unres/src_MD/Makefile_single_ifort diff | blob | history
source/unres/src_MD/cinfo.f diff | blob | history
source/unres/src_MD/unres.F diff | blob | history
UNRESPACK 3.x