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selimsami
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qforce
Apache License 2.0
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Use white space to delimit the space between parameters of the dihedral
#24
xiki-tempula
closed
2 years ago
2
Same fragments got computed twice
#23
xiki-tempula
opened
2 years ago
1
Implement batch_run
#22
xiki-tempula
closed
2 years ago
6
update gaff.itp gaff2.itp
#21
xiki-tempula
closed
2 years ago
5
Atomic number set to 0
#20
xiki-tempula
closed
2 years ago
6
Add support for HMR
#19
xiki-tempula
opened
2 years ago
7
About the rotation of the methyl group
#18
xiki-tempula
closed
2 years ago
5
Missing f in the error message
#17
xiki-tempula
closed
2 years ago
0
About the numbering after ~
#16
xiki-tempula
opened
2 years ago
4
Support for large scale screening
#15
xiki-tempula
closed
2 years ago
1
Add support for gaff2
#14
xiki-tempula
closed
2 years ago
5
Gaussian reads CM5 charge during hessian calculation
#13
xiki-tempula
closed
2 years ago
0
Add the support for ORCA
#12
xiki-tempula
closed
2 years ago
9
Questions with regard to the bond with the next neighbor is part of a ring
#11
xiki-tempula
closed
2 years ago
5
Include gaff2 in the lennard_jones
#10
xiki-tempula
closed
2 years ago
4
Dependency on pycolt
#9
xiki-tempula
closed
2 years ago
2
The default n_excl
#8
xiki-tempula
closed
2 years ago
3
Remove the numpy from the install-requires
#7
xiki-tempula
closed
2 years ago
1
py36 is no longer supported
#6
xiki-tempula
closed
2 years ago
3
Help with using Qforce
#5
xiki-tempula
closed
2 years ago
2
Julian opt
#4
jCodingStuff
closed
3 years ago
1
About using ORCA as QM engine
#3
xiki-tempula
closed
2 years ago
29
Julian vector
#2
jCodingStuff
closed
3 years ago
2
Failed installation on Mac OS 11.5.2
#1
jCodingStuff
closed
3 years ago
3
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