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(parent: 5a51c54) | patch
5/10/2012 by Adam
authorAdam Liwo <adam@matrix.chem.cornell.edu>
Thu, 10 May 2012 05:30:53 +0000 (01:30 -0400)
committerAdam Liwo <adam@matrix.chem.cornell.edu>
Thu, 10 May 2012 05:30:53 +0000 (01:30 -0400)
commit208e05fa1fb5407d3a9cd54921aec5f8092566ca
tree6a9cd96bfe2869a27bcf0804d25f636d90138b91tree | snapshot
parent5a51c54f7b79729facb1059cf82ec7e6a6629f52commit | diff
5/10/2012 by Adam
1. Added C-shell scripts for the GAB and E0LL2Y force field
2. Added examples for multichain calculations
44 files changed:
bin/unres/MD/unres.csh [deleted file] blob | history
bin/unres/MD/unres_E0LL2Y.csh [new file with mode: 0755] blob
bin/unres/MD/unres_GAB.csh [new file with mode: 0755] blob
bin/unres/MD/unres_single.sh [deleted file] blob | history
bin/unres/MD/unres_single_E0LL2Y.sh [new file with mode: 0755] blob
bin/unres/MD/unres_single_GAB.sh [new file with mode: 0755] blob
examples/unres/MD/Multichain/1DKZ-gab-ber.inp [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber.intin [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber.out_GB000 [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_000.rst [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_GB000.int [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_GB000.mol2 [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_GB000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_GB000.stat [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_MD000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene.inp [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene.intin [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene.out_GB000 [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene_GB000.int [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene_GB000.mol2 [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene_GB000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene_GB000.stat [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber.inp [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber.intin [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber.out_GB000 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_000.rst [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_GB000.int [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_GB000.mol2 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_GB000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_GB000.stat [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_MD000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.e53409 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.e53410 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.e53411 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.e53412 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.o53409 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.o53410 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.o53411 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.o53412 [new file with mode: 0644] blob
examples/unres/MD/Multichain/fort.12 [new file with mode: 0644] blob
examples/unres/MD/Multichain/start.mat [new file with mode: 0755] blob
examples/unres/MD/Multichain/unres.csh [new file with mode: 0755] blob
source/unres/src_MD/energy_p_new_barrier.F diff | blob | history
UNRESPACK 3.x