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2012-11-19	Mark Abraham	Minor updates to CMake usage	commit \| commitdiff \| tree
2012-11-16	Mark Abraham	Added grompp warning	commit \| commitdiff \| tree
2012-11-10	Mark Abraham	Fix broken manual formatting	commit \| commitdiff \| tree
2012-11-08	Mark Abraham	Relocated logic of simple-vs-GPU Ewald table generation	commit \| commitdiff \| tree
2012-10-13	Mark Abraham	Fixed install-xxx functionality broken in 9628e27d	commit \| commitdiff \| tree
2012-09-24	Mark Abraham	Fix REMD use of gmx_large_int_t for #steps variable	commit \| commitdiff \| tree
2012-09-17	Mark Abraham	Made construction of parallel filenames less noisy	commit \| commitdiff \| tree
2012-09-12	Mark Abraham	Merge "Don't fail linking if man page building fails...	commit \| commitdiff \| tree
2012-09-10	Mark Abraham	Corrected REMD citation	commit \| commitdiff \| tree
2012-08-31	Mark Abraham	Update use of CPack components and add install targets	commit \| commitdiff \| tree
2012-08-31	Mark Abraham	Improved pdb2gmx output	commit \| commitdiff \| tree
2012-08-28	Mark Abraham	Document correct comm_mode option	commit \| commitdiff \| tree
2012-08-14	Mark Abraham	Explicitly noted an issue with use of genbox -maxsol	commit \| commitdiff \| tree
2012-08-14	Mark Abraham	Don't silently accept genbox -nmol without -ci	commit \| commitdiff \| tree
2012-08-11	Mark Abraham	Clean up some variable naming for eigensolving	commit \| commitdiff \| tree
2012-08-11	Mark Abraham	Fixing of things associated with aminoacid.rtp header	commit \| commitdiff \| tree
2012-08-10	Mark Abraham	Added TIP4P back into CHARMM27	commit \| commitdiff \| tree
2012-07-30	Mark Abraham	Clarified reasons for termination of EM	commit \| commitdiff \| tree
2012-07-24	Mark Abraham	Clean up of environment variables	commit \| commitdiff \| tree
2012-06-19	Mark Abraham	Merge "Fixes #882 - looping bug in trxio.c" into release...	commit \| commitdiff \| tree
2012-06-15	Mark Abraham	Quiet linker on BlueGene	commit \| commitdiff \| tree
2012-06-15	Mark Abraham	Fix g_lie counting last frame twice	commit \| commitdiff \| tree
2012-06-06	Mark Abraham	Work around failure of endianness testing on BlueGene	commit \| commitdiff \| tree
2012-06-06	Mark Abraham	Fix endian test functionality	commit \| commitdiff \| tree
2012-06-04	Mark Abraham	Added more suggested strategies to error message	commit \| commitdiff \| tree
2012-05-31	Mark Abraham	Made mdrun more verbose about PME split	commit \| commitdiff \| tree
2012-05-26	Mark Abraham	Continuing to fix threading on Cygwin	commit \| commitdiff \| tree
2012-04-28	Mark Abraham	Merge "Remove checks based on Generator" into release...	commit \| commitdiff \| tree
2012-04-28	Mark Abraham	Merge "Fix version info generation for autoconf." into...	commit \| commitdiff \| tree
2012-04-19	Mark Abraham	Various improvements to shell code	commit \| commitdiff \| tree
2012-04-18	Mark Abraham	Removed outdated #includes	commit \| commitdiff \| tree
2012-04-17	Mark Abraham	Added Windows-specific #defines, and use them	commit \| commitdiff \| tree
2012-04-17	Mark Abraham	Rename gmxconfig.h to gmx_header_config.h	commit \| commitdiff \| tree
2012-04-14	Mark Abraham	Described default output behaviour	commit \| commitdiff \| tree
2012-04-14	Mark Abraham	Clarified warning message	commit \| commitdiff \| tree
2012-04-14	Mark Abraham	Clarified warning string	commit \| commitdiff \| tree
2012-04-11	Mark Abraham	Introduce include/gmxconfig.h	commit \| commitdiff \| tree
2012-04-10	Mark Abraham	Made g_helix sensitive to CHARMM atom naming	commit \| commitdiff \| tree
2012-04-10	Mark Abraham	Permit threads build on Cygwin	commit \| commitdiff \| tree
2012-04-09	Mark Abraham	Documentation and error message enhancements	commit \| commitdiff \| tree
2012-04-09	Mark Abraham	Lots of manual updates	commit \| commitdiff \| tree
2012-04-09	Mark Abraham	Consolidated documentation of .mdp restraint options	commit \| commitdiff \| tree
2012-04-02	Mark Abraham	Improved pdb2gmx error message	commit \| commitdiff \| tree
2012-04-02	Mark Abraham	Keep CMake quiet about a Cygwin issue	commit \| commitdiff \| tree
2012-03-18	Mark Abraham	Warnings against equilibrating with P-R P-coupling	commit \| commitdiff \| tree
2012-03-15	Mark Abraham	Clarified wording of documentation	commit \| commitdiff \| tree
2012-03-14	Mark Abraham	Changed cryptic error messages about disk quota	commit \| commitdiff \| tree
2012-03-09	Mark Abraham	More editorial fixes to tool documentation	commit \| commitdiff \| tree
2012-03-09	Mark Abraham	Editorial changes to tools documentation	commit \| commitdiff \| tree
2012-03-08	Mark Abraham	Improved warning note with DD and periodic molecules	commit \| commitdiff \| tree
2012-03-08	Mark Abraham	Made description string for g_select -select clearer	commit \| commitdiff \| tree
2012-03-08	Mark Abraham	Improved cryptic error message	commit \| commitdiff \| tree
2012-02-24	Mark Abraham	Minor formatting fixes to .mdp option documentation	commit \| commitdiff \| tree
2012-02-23	Mark Abraham	Fix pdb2gmx -cmap in corner cases	commit \| commitdiff \| tree
2012-02-10	Mark Abraham	Fixed g_sham using more than three dimensions	commit \| commitdiff \| tree
2012-02-10	Mark Abraham	Integer multiplication that checks for overflow	commit \| commitdiff \| tree
2012-02-01	Mark Abraham	Fixed trjconv -sub	commit \| commitdiff \| tree
2012-02-01	Mark Abraham	Fixed error message to identify the correct file	commit \| commitdiff \| tree
2012-02-01	Mark Abraham	Improved error message	commit \| commitdiff \| tree
2012-01-31	Mark Abraham	Merge "Corrected use of ?: in conditional" into release...	commit \| commitdiff \| tree
2012-01-31	Mark Abraham	Made error message even more explicit	commit \| commitdiff \| tree
2012-01-31	Mark Abraham	Corrected use of ?: in conditional	commit \| commitdiff \| tree
2012-01-14	Mark Abraham	Merge "Remove use of FindMPI.cmake" into release-4-6	commit \| commitdiff \| tree
2012-01-14	Mark Abraham	Merge "Removing outdated vsite comment" into release-4-6	commit \| commitdiff \| tree
2012-01-14	Mark Abraham	Remove use of FindMPI.cmake	commit \| commitdiff \| tree
2012-01-10	Mark Abraham	Fixed use of isfinite and _isfinite	commit \| commitdiff \| tree
2012-01-09	Mark Abraham	Fixed MSVC compiling with plug-in support	commit \| commitdiff \| tree
2012-01-09	Mark Abraham	Fixed use of _snprintf_s with MSVC	commit \| commitdiff \| tree
2012-01-07	Mark Abraham	Made use of VMD plugins more robust	commit \| commitdiff \| tree
2012-01-04	Mark Abraham	Added CMake Toolchain file for BlueGene/P	commit \| commitdiff \| tree
2011-12-29	Mark Abraham	Documented the function of g_cluster -cl -noav	commit \| commitdiff \| tree
2011-12-14	Mark Abraham	Re-fixed static linking of maths libraries under UNIX	commit \| commitdiff \| tree
2011-12-13	Mark Abraham	Converted macro usage for readability	commit \| commitdiff \| tree
2011-12-13	Mark Abraham	Relaxed some assumptions about trajectory times	commit \| commitdiff \| tree
2011-12-12	Mark Abraham	Fixed macros that ended in semicolons	commit \| commitdiff \| tree
2011-11-25	Mark Abraham	Changed cryptic variable names	commit \| commitdiff \| tree
2011-11-24	Mark Abraham	Only analyse angle transitions for dihedral angles	commit \| commitdiff \| tree
2011-11-24	Mark Abraham	Added protective preprocessor directives	commit \| commitdiff \| tree
2011-11-23	Mark Abraham	Fixed g_angle -f -or to copy times from -f to -or	commit \| commitdiff \| tree
2011-11-02	Mark Abraham	Fix for GB, double, SSE2 and optimized kernels	commit \| commitdiff \| tree
2011-11-01	Mark Abraham	Trigger correct kernels under Cygwin	commit \| commitdiff \| tree
2011-10-27	Mark Abraham	Made reading of binary matrices more robust	commit \| commitdiff \| tree
2011-10-19	Mark Abraham	Corrected charge of CHARMM zinc ion to +2	commit \| commitdiff \| tree
2011-10-13	Mark Abraham	Changed default value for g_anaeig -last to -1	commit \| commitdiff \| tree
2011-10-06	Mark Abraham	Removed erroneous use of MASSV on BlueGene	commit \| commitdiff \| tree
2011-10-06	Mark Abraham	Fixes for GB kernel	commit \| commitdiff \| tree
2011-09-30	Mark Abraham	Removed duplicate CMake functionality	commit \| commitdiff \| tree
2011-09-27	Mark Abraham	Added tip for converting .xpm to something useful	commit \| commitdiff \| tree
2011-09-27	Mark Abraham	Removed autotools and references to them.	commit \| commitdiff \| tree
2011-09-26	Mark Abraham	Dropped some hints in the documentation	commit \| commitdiff \| tree
2011-09-26	Mark Abraham	Removed CMake warning for recent OpenMPI versions	commit \| commitdiff \| tree
2011-09-23	Mark Abraham	Minor house-keeping	commit \| commitdiff \| tree
2011-09-15	Mark Abraham	Fix trjconv -sub	commit \| commitdiff \| tree
2011-09-15	Mark Abraham	Warning about trjconv -sub needing many files open	commit \| commitdiff \| tree
2011-09-15	Mark Abraham	g_sham -mdata is an input file, not output file	commit \| commitdiff \| tree
2011-09-14	Mark Abraham	Format warning better	commit \| commitdiff \| tree
2011-09-13	Mark Abraham	Fix pdb2gmx -debug and .hdb files	commit \| commitdiff \| tree
2011-09-13	Mark Abraham	Fix for CMake finding LAPACK	commit \| commitdiff \| tree
2011-09-13	Mark Abraham	Added ACE and CT3 to CHARMM27 aminoacids.rtp	commit \| commitdiff \| tree
2011-09-13	Mark Abraham	Fixed charge groups of CHARMM27 DNA/RNA terminal H	commit \| commitdiff \| tree
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