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fixed segv in TPI with PME, fixes #927
2012-04-27 Berk Hessfixed segv in TPI with PME, fixes #927
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2012-04-26 Berk HessMerge release-4-5-patches into release-4-6
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2012-04-26 Berk Hessfixed the reported temperature with Brownian dynamics
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2012-04-25 Berk Hessreplaced PPPM by P3M-AD: a few lines in pme.c
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2012-04-25 Berk Hessfixed initial COM motion removal with multiple groups
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2012-04-18 Berk Hessfixed segfault in graph code with coordinate subsets
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2012-04-18 Berk Hessallow -append to overrule unsupported file locking
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2012-04-17 Berk Hesschanged mdrun file locking not supported error to a...
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2012-04-16 Berk Hesschanged default for nstxout, nstvout and nstlog
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2012-04-16 Berk Hesscheckpoint files now contain a double precision flag
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2012-03-27 Berk Hessadded correction for PME virial with non-linear virtual...
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2012-03-23 Berk Hessfixed g_bar xvg reading issue
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2012-03-17 Berk Hessfixed increasing memory usage with SHAKE and DD
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2012-03-13 Berk Hessmdrun -npme without PME or with PD now generates a...
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2012-03-05 Berk Hessfixed g_anaeig incorrect multiple extremes, fixes #870
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2012-03-05 Berk Hessadded check for mass-weighting with g_anaeig -entropy...
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2012-03-05 Berk Hessremoved initial temperature with OpenMM, fixes #757
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2012-02-28 Berk Hessfixed array index out of bounds in EM force trr storage
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2012-02-26 Berk Hessuse separate PME nodes with #nodes>18
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2012-02-23 Berk Hessadded tpx file tag string
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2012-02-20 Berk Hesschanged default epsilon-rf value to 0
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2012-02-10 Berk Hessfixed gmxcheck segv with tpr files without AdResS
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2012-02-06 Berk HessFixed bug with COM motion removal on part of the system
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2012-02-02 Berk HessImproved the accuracy of the sd1 integrator
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2011-11-27 Berk Hessfixed pull constraint periodicity consistency check...
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2011-11-15 Berk Hessfixed dd load print frequency with nsteps=-1, fixes...
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2011-10-13 Berk Hessfixed pull constraining doing nothing, fixes #825
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2011-10-06 Berk Hessfixed segv in parallel replica exchange
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2011-09-19 Berk Hessadded grompp check for posres+pcoupl+refcoord_scaling=no
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2011-09-15 Berk Hessmdrun -multi -cpi now checks if simulations parts are...
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2011-09-13 Berk Hessfixed grompp issue with decoupling and virtual sites
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2011-09-05 Berk Hessmade allocation for LINCS with particle decomposition...
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2011-08-29 Berk Hessfixed incorrect pV term in the energy file
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2011-08-22 Berk Hessfixed operation on closed file structure in gmx_rmsdist...
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2011-08-22 Berk Hessfixed possible infinite loop when reading atom types...
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2011-08-15 Berk Hessfixed incorrect pointer assignment in g_protonate
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2011-08-12 Berk Hessimplemented full exclusion support for the charge-group...
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2011-08-10 Berk Hessremoved npmenodes mismatch warning in read_checkpoint...
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2011-08-10 Berk Hessremoved fatal_error for prime number of nodes when...
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The ultimate molecular dynamics simulation package