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akohlmey
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topotools
VMD plugin for manipulating topology information
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Issues with Improper Atom Ordering in TopoTools 1.9 for LAMMPS
#25
allotrust
opened
11 months ago
1
undefined "type" variable for "topo addcrossterm"
#24
jeffcomer
opened
11 months ago
0
Error "can't read "cmaptmp": no such variable" when trying to write gmx top
#23
kpounot
opened
1 year ago
1
guessdihedral issue with epoxy groups on graphene
#22
Movaffaq
closed
3 years ago
1
gromacs error
#21
S30194
closed
2 years ago
2
writepsf write psf without segname
#20
shuxiansheng2
closed
3 years ago
1
Add fake cmaptypes when needed
#19
jvermaas
closed
3 years ago
0
README was not renamed in Makefile
#18
sizmailov
closed
4 years ago
1
Incorrect dihedral type when the structure contains three-membered ring
#17
xu139411
closed
4 years ago
3
TopoTools::replicatemol
#16
gandhiforbes
closed
5 years ago
1
read/write lammps molecule templates
#15
jrgissing
opened
5 years ago
0
Sort fragments and enable strange atomtypes.
#14
jvermaas
closed
4 years ago
0
mergemols() destroys simulation box angles
#13
EfremBraun
closed
6 years ago
4
atoms order in impropers list in writelammpsdata
#12
alessiodavidgit
closed
4 years ago
2
Fixed bug in handling of non-orthogonal unit cells in replicatemol()
#11
EfremBraun
closed
7 years ago
1
Feature Request: Putting the box tilt within bounds
#10
EfremBraun
closed
7 years ago
1
Added a check for CHARMM-formatted psf files.
#9
jvermaas
closed
7 years ago
0
Update residues
#8
jonas-feldt
closed
7 years ago
2
Input Sanity Checks
#7
jvermaas
closed
7 years ago
0
TopoTools coverted .top error missing atomtype
#6
MamtaMohan
closed
7 years ago
16
topotools error
#5
MamtaMohan
closed
7 years ago
1
fixed the number of lines skipped for the PairIJ Coeffs section.
#4
BrianMoths
closed
8 years ago
1
Wrong number of lines skipped for PairIJ Coeffs section in topolammps.tcl
#3
BrianMoths
closed
8 years ago
1
support for nonorthogonal boxes in replicatemol
#2
koniweb
closed
9 years ago
1
Incorrect triclinic box output with writelammpsdata
#1
akohlmey
closed
10 years ago
1