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Number of temperatures in WHAM changed from 32 to 36 and WHPB name changed to WSTRAIN...
[unres.git]
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ctest
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1L2Y_NH.inp
2016-03-14
Cezary Czaplewski
ctest wsccor 0.25 wtor 1.34316 in all tests
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2016-03-08
Cezary Czaplewski
ctest for thermostats: Langevin, Nose-Hoover and Berendsen
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