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A coffee ☕
A coffee ☕
Supported our effort with a cup of coffee ☕
alascan
alascan
amber-files
amber-files
announcement
announcement
1
bug
bug
Something isn't working
3
Can't reproduce
Can't reproduce
I cannot reproduce the error based on my development environment, or more information is required.
cas_intdiel
cas_intdiel
Produces different energy for the same system according to the mutated residue
Centos7
Centos7
charmm
charmm
command-line
command-line
documentation
documentation
Improvements or additions to documentation
2
duplicate
duplicate
This issue or pull request already exists
enhancement
enhancement
New feature or request
3
Exception
Exception
It cannot be fixed, we can only limit its use or point it out to the user
good first issue
good first issue
Good for newcomers
gromos
gromos
help wanted
help wanted
Extra attention is needed
high priority
high priority
High priority to solve the issue
improvement
improvement
1
incomplete description
incomplete description
The user did not understandably report the problem
Inconsistent input files
Inconsistent input files
Problems with user-defined files. i.e, number of atoms mismatch between tpr and trajectory
installation
installation
invalid
invalid
This doesn't seem right
limitation
limitation
low priority
low priority
Low priority to solve the issue
LPH Particle
LPH Particle
medium priority
medium priority
Medium priority to solve the issue
MTP
MTP
needs revision
needs revision
ParmEd
ParmEd
Using incompatible ParmEd version