pdbread & boxshift
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 1 Apr 2020 18:42:29 +0000 (20:42 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 1 Apr 2020 18:42:29 +0000 (20:42 +0200)
commit05c1789531ec3f44dfebf41b426cb1204329e7ff
tree9c6c862e5ff93c33596704b61165f00e343c3730
parentdf5ad6c769f328b01ef15673420b789f998f0d83
pdbread & boxshift
23 files changed:
CMakeLists.txt
source/cluster/wham/src-HCD-5D/DIMENSIONS
source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos
source/cluster/wham/src-HCD-5D/readpdb.F
source/unres/src-HCD-5D/CMakeLists.txt
source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos
source/unres/src-HCD-5D/boxshift.f [new file with mode: 0644]
source/unres/src-HCD-5D/elecont.f
source/unres/src-HCD-5D/energy_p_new-sep_barrier.F
source/unres/src-HCD-5D/energy_p_new_barrier.F
source/unres/src-HCD-5D/gen_rand_conf.F
source/unres/src-HCD-5D/int_from_cart.F [new file with mode: 0644]
source/unres/src-HCD-5D/make-tau.log [new file with mode: 0644]
source/unres/src-HCD-5D/minimize_p.F
source/unres/src-HCD-5D/readpdb-mult.F [new file with mode: 0644]
source/unres/src-HCD-5D/readpdb.F
source/unres/src-HCD-5D/readrtns_CSA.F
source/unres/src-HCD-5D/rmscalc.F
source/unres/src-HCD-5D/sc_move.F
source/unres/src-HCD-5D/stochfric.F
source/unres/src-HCD-5D/unres.F
source/wham/src-HCD-5D/Makefile_MPICH_ifort-okeanos
source/wham/src-HCD-5D/readpdb.F