AMBER 5.0 Bug Fixes
5.0 November, 1997 (RCS 7.0)
corrected version of octree.c for LEaP
fix to non-Ewald periodic boundary condition code in sander
minor update to Makefile for fantasian
minor update to Makefile for spasms
fix pointer problem in gibbs when "cap" of water used
fix gibbs Makefile typo for "bigsource"
patches for compiling leap on rs6000
patches for compiling leap on SGI Irix 6.4
xleap crash in addIons (possibly other crashes too)
sander: failures when polarization is used
sander: memory allocation failures not detected
roar: updates to permit compilation on more machines
carnal: failure to detect main-chain atoms in BACKBONE
carnal: DISTRIBUTION DIST NORM fails with 1 group (intra-group distances).
carnal: STATIC fails when expecting box from pdb or box-less restrt
roar: fix compile problem for Dec Alpha machines.
sander: problem with PME on some (non-SGI, non-Cray) parallel machines
parm96.dat: 'missing' improper torsions, deleted ions
ions9*.lib: can't see ions with unit editor
Leap: update unitio.c to avoid possible crash in saveAmberParm
Sample Machine.g77 file to aid compilation with that compiler.
Leap: solvateBox can result in solute being off-center in box.
xleap: speed enhancement to counter slowdown introduced by bugfix.9
carnal: TORSION BACKBONE error when looped molecule followed by
non-looped terminal one
xleap: "Add H and Build" exits on atom with undefined hybridization.
xleap: "edit Na+" crashes on DEC Alpha
sander/SGI: enable polarization on parallel machines.
ALL/Solaris: new Machine files for Solaris
Exit handling in mexit.f for g77/f2c compilation.
Sander: MPI parallel implementation of PME
Leap: sometimes crashes: "Unmatched Exec Push/Pop, ..."
Leap: bug (crash) in solvate routines, activated by bugfix.31
Leap: compilation on IRIX 6.5
Carnal: crashes when reading restrt with box for STATIC.
Leap: on IRIX 6.5, floating-point numbers printed to
screen are all 0.00000.
Leap: compilation on Cray T3E
Leap: possible crash on saveAmberParm when torsions are commented
Leap: redundant bond in a prep.in LOOP section causes exit in loadpdb.
Leap: solvateCap bug crashes DEC alpha, may cause imperfect cap
on other machines.
Carnal: writing pdb files w/ residues > 9999, coordinates get
pushed to the right and some viewers can't load the file.
Leap: crashes when deleting a water added by a solvate cmd.
xleap: crashes on Dec when moving molecule or closing edit window.
xleap: bug that might cause crashes in 'relax selection'.
xleap: bug that might cause crashes in Unit Editor 'build' commands.
sander: fixes three body list generation for more than one ion.
xleap: bug that might cause crash when using 'load' windows.
xleap: adding a row to a parm atom table shifts columns.
Leap: wrong torsion term parameter chosen when duplicates
without wildcard atom types are loaded from multiple parmsets.
Leap: solvateOct with single cutoff results in wrong
scaleup of box for diagonal clearance.