mmka.chem.univ.gda.pl Git - unres.git/commit

author	Adam Kazimierz Sieradzan <adasko@sun1.chem.univ.gda.pl>
	Thu, 4 Oct 2012 14:52:15 +0000 (10:52 -0400)
committer	Adam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
	Wed, 17 Dec 2014 10:23:48 +0000 (11:23 +0100)
commit	29a093f001749a47ac4054191a494bdc35178a39
tree	019177b0021afdaedc8be00121f45a83270ee91e	tree \| snapshot
parent	87da0be288cd36196a3546e3da22e10a78064de4	commit \| diff

Wprowadznie potencjalow SC-COR do multichain oraz ich pseudosymetrii dla
D aminokwasow

Conflicts:

bin/unres/MD-M/unres_Tc_procor_oldparm_em64-D-symetr.exe
source/unres/src_MD-M/COMMON.SCCOR
source/unres/src_MD-M/Makefile
source/unres/src_MD-M/cinfo.f
source/unres/src_MD-M/energy_p_new_barrier.F
source/unres/src_MD-M/lagrangian_lesyng.F
source/unres/src_MD-M/moments.f
source/unres/src_MD-M/parmread.F
source/unres/src_MD-M/stochfric.F
source/unres/src_MD/COMMON.SCCOR

21 files changed:

bin/unres/MD-M/unres_Tc_procor_oldparm_em64-D-symetr.exe	[new file with mode: 0755]	blob
source/unres/src_MD-M/COMMON.CHAIN		diff \| blob \| history
source/unres/src_MD-M/COMMON.LOCAL		diff \| blob \| history
source/unres/src_MD-M/COMMON.SCCOR		diff \| blob \| history
source/unres/src_MD-M/COMMON.VAR		diff \| blob \| history
source/unres/src_MD-M/DIMENSIONS		diff \| blob \| history
source/unres/src_MD-M/MD.F		diff \| blob \| history
source/unres/src_MD-M/Makefile	[changed from symlink to file mode: 0644]	diff \| blob \| history
source/unres/src_MD-M/checkder_p.F		diff \| blob \| history
source/unres/src_MD-M/cinfo.f	[new file with mode: 0644]	blob
source/unres/src_MD-M/energy_p_new_barrier.F		diff \| blob \| history
source/unres/src_MD-M/gradient_p.F		diff \| blob \| history
source/unres/src_MD-M/initialize_p.F		diff \| blob \| history
source/unres/src_MD-M/int_to_cart.f		diff \| blob \| history
source/unres/src_MD-M/intcartderiv.F		diff \| blob \| history
source/unres/src_MD-M/kinetic_lesyng.f		diff \| blob \| history
source/unres/src_MD-M/lagrangian_lesyng.F		diff \| blob \| history
source/unres/src_MD-M/moments.f		diff \| blob \| history
source/unres/src_MD-M/parmread.F		diff \| blob \| history
source/unres/src_MD-M/stochfric.F		diff \| blob \| history
source/unres/src_MD/COMMON.SCCOR		diff \| blob \| history

UNRESPACK 3.x

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