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(parent: 6892311) | patch
6/11/2012 by Adam
authorAdam Liwo <adam@matrix.chem.cornell.edu>
Mon, 11 Jun 2012 14:25:25 +0000 (10:25 -0400)
committerAdam Liwo <adam@matrix.chem.cornell.edu>
Mon, 11 Jun 2012 14:25:25 +0000 (10:25 -0400)
commitd2820032977a452e246daf616d04f0da25cb6e51
treed293382b28691d8cb7c270e1cc07d92ec6e23ee0tree | snapshot
parent68923111d906210c48e2e03a97598fecd3ebd240commit | diff
6/11/2012 by Adam
xdrf-m corrected (list of arguments); changes in manual required!
199 files changed:
bin/unres/CSA/unres_csa-CASP3_ifort_mpich-1.2.7p1.exe diff | blob | history
bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe diff | blob | history
bin/xdrf2pdb-m-mult [new file with mode: 0755] blob
examples/unres/CSA/CASP3/ENERGY/protA.out_LJ000 diff | blob | history
examples/unres/CSA/CASP3/ENERGY/protA_LJ000.int diff | blob | history
examples/unres/CSA/CASP3/ENERGY/protA_LJ000.pdb diff | blob | history
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y.seq [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD.inp diff | blob | history
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD.intin [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD.out_GB000 [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_GB000.int [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_GB000.mol2 [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_GB000.pdb [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_GB000.stat [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_GB001.stat [new file with mode: 0644] blob
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examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_MD000.cx [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_MD000_002.pdb [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/1L2Y_MREMD_mremd.rst [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/PI8900 [new file with mode: 0644] blob
examples/unres/MD/ff_1l2y_1le1/MREMD/unres.csh diff | blob | history
examples/unres/MD/ff_gab/ala10-cx_MD.cx [deleted file] blob | history
examples/unres/MD/ff_gab/ala10-cx_MD.cx-safe [new file with mode: 0644] blob
examples/unres/MD/ff_gab/ala10.seq diff | blob | history
examples/unres/MD/ff_gab/ala10MD.ang [new file with mode: 0644] blob
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source/unres/src_CSA/gen_rand_conf.o [new file with mode: 0644] blob
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source/unres/src_CSA/gradient_p.o [new file with mode: 0644] blob
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source/unres/src_CSA/readpdb.o [new file with mode: 0644] blob
source/unres/src_CSA/readrtns_csa.F diff | blob | history
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source/unres/src_CSA/rescode.o [new file with mode: 0644] blob
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source/unres/src_CSA/sc_move.o [new file with mode: 0644] blob
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source/unres/src_MD/MD_A-MTS.o [new file with mode: 0644] blob
source/unres/src_MD/MP.o [new file with mode: 0644] blob
source/unres/src_MD/MREMD.o [new file with mode: 0644] blob
source/unres/src_MD/add.o [new file with mode: 0644] blob
source/unres/src_MD/arcos.o [new file with mode: 0644] blob
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source/unres/src_MD/bond_move.o [new file with mode: 0644] blob
source/unres/src_MD/cartder.o [new file with mode: 0644] blob
source/unres/src_MD/cartprint.o [new file with mode: 0644] blob
source/unres/src_MD/chainbuild.o [new file with mode: 0644] blob
source/unres/src_MD/check_bond.o [new file with mode: 0644] blob
source/unres/src_MD/check_sc_distr.o [new file with mode: 0644] blob
source/unres/src_MD/checkder_p.o [new file with mode: 0644] blob
source/unres/src_MD/cinfo.f diff | blob | history
source/unres/src_MD/cinfo.o [new file with mode: 0644] blob
source/unres/src_MD/compare_s1.o [new file with mode: 0644] blob
source/unres/src_MD/compinfo [new file with mode: 0755] blob
source/unres/src_MD/contact.o [new file with mode: 0644] blob
source/unres/src_MD/convert.o [new file with mode: 0644] blob
source/unres/src_MD/cored.o [new file with mode: 0644] blob
source/unres/src_MD/dihed_cons.o [new file with mode: 0644] blob
source/unres/src_MD/djacob.o [new file with mode: 0644] blob
source/unres/src_MD/econstr_local.o [new file with mode: 0644] blob
source/unres/src_MD/eigen.o [new file with mode: 0644] blob
source/unres/src_MD/elecont.o [new file with mode: 0644] blob
source/unres/src_MD/energy_p_new-sep_barrier.o [new file with mode: 0644] blob
source/unres/src_MD/energy_p_new_barrier.o [new file with mode: 0644] blob
source/unres/src_MD/energy_split-sep.o [new file with mode: 0644] blob
source/unres/src_MD/entmcm.o [new file with mode: 0644] blob
source/unres/src_MD/fitsq.o [new file with mode: 0644] blob
source/unres/src_MD/gauss.o [new file with mode: 0644] blob
source/unres/src_MD/gen_rand_conf.o [new file with mode: 0644] blob
source/unres/src_MD/geomout.o [new file with mode: 0644] blob
source/unres/src_MD/gnmr1.o [new file with mode: 0644] blob
source/unres/src_MD/gradient_p.o [new file with mode: 0644] blob
source/unres/src_MD/initialize_p.o [new file with mode: 0644] blob
source/unres/src_MD/int_to_cart.o [new file with mode: 0644] blob
source/unres/src_MD/intcartderiv.o [new file with mode: 0644] blob
source/unres/src_MD/intcor.o [new file with mode: 0644] blob
source/unres/src_MD/intlocal.o [new file with mode: 0644] blob
source/unres/src_MD/kinetic_lesyng.o [new file with mode: 0644] blob
source/unres/src_MD/lagrangian_lesyng.o [new file with mode: 0644] blob
source/unres/src_MD/local_move.o [new file with mode: 0644] blob
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source/unres/src_MD/minim_mcmf.o [new file with mode: 0644] blob
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source/unres/src_MD/moments.o [new file with mode: 0644] blob
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UNRESPACK 3.x