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Using insight2lammps for PCFF
|
|
2
|
31
|
May 3, 2024
|
|
Making bulk semicrystalline structure
|
|
4
|
337
|
May 3, 2024
|
|
Terminating cluster error
|
|
3
|
168
|
May 3, 2024
|
|
Generating the same random chain
|
|
3
|
70
|
April 17, 2024
|
|
Warning message about field
|
|
2
|
54
|
April 15, 2024
|
|
Importing cyclodextrin (formerly nrings != nlinks error)
|
|
8
|
272
|
April 4, 2024
|
|
OPLS-AA adding new rules
|
|
3
|
127
|
April 3, 2024
|
|
How to embed a carbon nanotube in a polyethylene melt
|
|
4
|
220
|
April 2, 2024
|
|
Adding DFT derived partial charges
|
|
2
|
91
|
March 30, 2024
|
|
Does EMC code have limitation on the number of atoms?
|
|
2
|
62
|
March 30, 2024
|
|
Regarding dihedrals in EMC input file
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|
4
|
104
|
March 27, 2024
|
|
Error using COMPASS and pcff
|
|
3
|
125
|
March 25, 2024
|
|
Missing parameters in the pcff force field
|
|
0
|
67
|
March 22, 2024
|
|
Trying to get polyurethane initial structure
|
|
3
|
191
|
March 22, 2024
|
|
Charge assignment in the pcff force field
|
|
3
|
107
|
March 19, 2024
|
|
OPLS potential types for LAMMPS input file from EMC
|
|
2
|
93
|
March 18, 2024
|
|
MARTINI FF in EMC
|
|
2
|
263
|
March 11, 2024
|
|
Implement custom force field via the FIELD keyword
|
|
2
|
184
|
February 27, 2024
|
|
Getting comfortable with EMC scripting
|
|
6
|
525
|
February 26, 2024
|
|
Using COMPASS forcefield with EMC
|
|
7
|
140
|
February 26, 2024
|
|
Creating EPDM copolymer chain
|
|
2
|
106
|
February 26, 2024
|
|
Error to build semicrystalline structure
|
|
1
|
93
|
February 25, 2024
|
|
Error: core/systems.c:476 SystemsInit: Systems not defined
|
|
4
|
110
|
February 12, 2024
|
|
Import PDB of Polymer, Error "does not occur in chemistries"
|
|
1
|
79
|
February 7, 2024
|
|
Has anyone compared the computational speed of EMC with other MC softwares such as Towhee?
|
|
1
|
109
|
January 14, 2024
|
|
Controle of hydrogen atoms
|
|
4
|
118
|
December 27, 2023
|
|
Core/group/site.c:22 GroupSiteChargeRealloc: Realloc error
|
|
4
|
208
|
December 25, 2023
|
|
Missing force field parameters
|
|
5
|
346
|
December 16, 2023
|
|
Error: Total charge of system 'main' does not equal zero (charge = 0.222)
|
|
9
|
394
|
December 12, 2023
|
|
Type not found in force fields
|
|
1
|
252
|
November 3, 2023
|