akohlmey / topotools

VMD plugin for manipulating topology information

akohlmey/topotools Issues

Bug in WRITEPSF
Closed 2 months ago5
Issues with Improper Atom Ordering in TopoTools 1.9 for LAMMPS
Updated a year ago1
undefined "type" variable for "topo addcrossterm"
Updated a year ago
Error "can't read "cmaptmp": no such variable" when trying to write gmx top
Updated 2 years ago1
gromacs error
Closed 3 years ago2
guessdihedral issue with epoxy groups on graphene
Closed 3 years ago1
writepsf write psf without segname
Closed 4 years ago1
README was not renamed in Makefile
Closed 4 years ago1
atoms order in impropers list in writelammpsdata
Closed 5 years ago2
Incorrect dihedral type when the structure contains three-membered ring
Closed 5 years ago3
TopoTools::replicatemol
Closed 5 years ago1
mergemols() destroys simulation box angles
Closed 7 years ago4
Feature Request: Putting the box tilt within bounds
Closed 7 years ago1
Update residues
Closed 7 years ago2
TopoTools coverted .top error missing atomtype
Closed 8 years ago16
topotools error
Closed 8 years ago1
Wrong number of lines skipped for PairIJ Coeffs section in topolammps.tcl
Closed 8 years ago1
Incorrect triclinic box output with writelammpsdata
Closed 11 years ago1