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165 Open 498 Closed
165 Open 498 Closed
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Issues list

Changing one dihedraltype or angletype parameters changes the value of equal dihedraltypes and angletypes
#1373 opened Sep 4, 2024 by Lactoria-cornuta
Gromacs topology to Amber Topology
#1372 opened Sep 2, 2024 by Kapalisuri
Conversion of GROMACS TRAJECTORY TO AMBER TRAJECTORY
#1371 opened Sep 2, 2024 by Kapalisuri
1
Incompatible with NumPy 2.0
#1364 opened Aug 9, 2024 by njzjz
PDB -> parm7 and rst7
#1363 opened Aug 1, 2024 by johnnytam100
1
[Gromber] non-contiguous molecules
#1362 opened Jul 18, 2024 by slweng0321
7
AttributeError: 'AmberParameterSet' object has no attribute 'save'
#1361 opened Jul 17, 2024 by qlearn-code
2
Select Amber improper dihedrals are incorrectly sorted
#1357 opened Jun 26, 2024 by murfalo
problem with combining structures
#1354 opened Jun 13, 2024 by JuroDobias
darwin_major_to_osx_map needs update
#1349 opened May 2, 2024 by eemartin42
4
Read Gromacs topology file with wrong openmm topology object
#1345 opened Apr 8, 2024 by yjianzhu
1
Example Convert the gromacs topology file to the charmm topology file
#1341 opened Mar 14, 2024 by herbrexe
2
Retrieve bond orders from charmm psf, coordinates and topology + parameter files
#1337 opened Feb 6, 2024 by mgoullieux
1
parmed.openmm.NetCDFReporter format error, cannot open in VMD or MDAnalysis
#1336 opened Jan 14, 2024 by ajerschow
tests failed on riscv64 and mips64el
#1335 opened Jan 9, 2024 by yuzibo
Issue with saving modified dihedral parameters into prmtop file
#1334 opened Jan 4, 2024 by Madu86
<< Old bug alive? >>
#1333 opened Dec 30, 2023 by icamps
set_version
#1332 opened Dec 13, 2023 by Alexander-McMahon
OPC molecule atoms are not contiguous when saving prmtop file
#1331 opened Nov 14, 2023 by emainas
add1264.py does not have the C4 parameters fro the OPC water model
#1329 opened Nov 11, 2023 by lauricella
Parmed can not read gromacs topology of water molecules with ifdef statement correctly
#1324 opened Oct 19, 2023 by VOD555
Gromacs pair funct !=1 unknown
#1323 opened Sep 29, 2023 by JuuelHerza
2
GromacsError: Only 3-point vsite type 1 is supported
#1321 opened Sep 26, 2023 by ale94mleon
1
Is it possible to extract atomtypes, bondtypes, pairtypes, angletypes, dihedraltypes information?
#1320 opened Sep 19, 2023 by chaninpark0806
1
rename residue PDB to be compatible with PDB
#1317 opened Sep 12, 2023 by groponp
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