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Commits on Sep 30, 2026

• Fix potential integer overflow in LJ VDW long-range correction (#1194)

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  drroe

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  Daniel R. Roe

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Commits on Sep 22, 2026

• Fix segmentation fault when stripping topologies containing LJC parameters (#1192)

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  drroe

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Commits on Sep 4, 2026

• Add ability to read gbnsr6 output. Add new output format keywords to 'avg' command. (#1191)

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  drroe

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  Daniel R. Roe

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Commits on Sep 3, 2026

• Action surface tension (#1189)

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  ndlevinzon

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• Try to fix 404 Not Found errors when setting up the software environment in GitHub Actions (#1190)

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  drroe

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  Daniel R. Roe

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Commits on Jul 16, 2026

• Fix segmentation faults when reading in trajectories without forces/velocities after reading in trajectories with forces/velocities (#1188)

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  drroe

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  Daniel R. Roe

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Commits on Jul 3, 2026

• Enable the 'geom' keyword for the 'vector' action (#1186)

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  drroe

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  Daniel R. Roe

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Commits on Jun 4, 2026

• Fix copy of Frame information in the 'setvelocity' command (#1184)

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  drroe

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  Daniel R. Roe

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Commits on May 7, 2026

• Use any LEaP-style specified GB radii if no radii explicitly set for 'build' and 'sequence' (#1183)

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  drroe

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  Daniel R. Roe

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• Fix changes in the Amber gitlab that I accidentally overwrote (#1182)

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  drroe

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Commits on May 5, 2026

• Make sure added water/ions have chain IDs set if incoming system has them (#1181)

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Commits on Apr 14, 2026

• Add dtr plugin object to libcpptraj_traj static compile for ambpdb in ambertools (#1180)

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  drroe

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• Fix memory issues revealed by cmake+GCC15 compile (#1179)

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  drroe

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Commits on Apr 8, 2026

• Update codeql action from v3 to v4 (#1178)

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  drroe

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Commits on Apr 7, 2026

• Ensure MPI tests work for higher process counts (#1177)

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Commits on Apr 1, 2026

• Fix spurious hybrid36 detect in PDB messages (#1176)

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  drroe

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  Daniel R. Roe

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Commits on Mar 27, 2026

• Support up to 2 character chain IDs for PDB files. (#1175)

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  drroe

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• Fix solvating with truncated octahedral cells (#1174)

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  drroe

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  Daniel R. Roe

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Commits on Mar 21, 2026

• Fix.chiral.priority.update manual (#1173)

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  drroe

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  Daniel R. Roe

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• Improve determining atom priority when calculating chirality (#1172)

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  drroe

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  Daniel R. Roe

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Commits on Mar 17, 2026

• Add support for reading/writing Hybrid36 fields from PDB files (#1171)

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  drroe

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Commits on Mar 13, 2026

• Fix begin terminal detection when input coordinates are not from PDB (#1170)

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  drroe

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  Daniel R. Roe

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Commits on Mar 12, 2026

• Add missing object to static lib_parm to fix ambpdb (#1169)

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  drroe

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  Daniel R. Roe

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• Fix ModXNA compatibility (#1168)

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  drroe

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Commits on Mar 9, 2026

• Add missing objects to static libraries, should fix ambpdb build (#1167)

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  drroe

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  Daniel R. Roe

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Commits on Mar 6, 2026

• Major Version Update: 7.00.0 (#1166)

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  drroe

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  Daniel R. Roe

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Commits on Mar 3, 2026

• Add missing support for SM 8.9 in CMAKE (#1165)

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Commits on Feb 26, 2026

• Fix write of Hamiltonian dimension value to Amber netcdf trajectory (#1164)

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Commits on Feb 20, 2026

• Try to handle OS where hdf5/netcdf can be installed to lib64 instead of lib (#1163)

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Commits on Feb 5, 2026

• Revert #1159, LJ 12-6-4 term needs more testing (#1160)

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  drroe

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• Add 12-6-4 support for the Energy/Emin/Ene_Decomp commands in cpptraj (#1159)

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Commits on Jan 27, 2026

• Add new options to resinfo short (#1158)

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Commits on Nov 26, 2025

• Better checking that X dimension of sets match in output files. Add 'resrange' keyword to 'atomicfluct' (#1157)

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  drroe

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Commits on Oct 13, 2025

• Add vectormath average keyword (#1155)

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Commits on Oct 10, 2025

• Add 'bonddipole' mode to 'vector' action (#1154)

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  drroe

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