|
Getting comfortable with EMC scripting
|
|
6
|
824
|
February 26, 2024
|
|
Using COMPASS forcefield with EMC
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|
7
|
552
|
February 26, 2024
|
|
Creating EPDM copolymer chain
|
|
2
|
274
|
February 26, 2024
|
|
Error to build semicrystalline structure
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|
1
|
237
|
February 25, 2024
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Error: core/systems.c:476 SystemsInit: Systems not defined
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4
|
250
|
February 12, 2024
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Import PDB of Polymer, Error "does not occur in chemistries"
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1
|
217
|
February 7, 2024
|
|
Has anyone compared the computational speed of EMC with other MC softwares such as Towhee?
|
|
1
|
233
|
January 14, 2024
|
|
Controle of hydrogen atoms
|
|
4
|
222
|
December 27, 2023
|
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Core/group/site.c:22 GroupSiteChargeRealloc: Realloc error
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4
|
315
|
December 25, 2023
|
|
Missing force field parameters
|
|
5
|
759
|
December 16, 2023
|
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Error: Total charge of system 'main' does not equal zero (charge = 0.222)
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9
|
552
|
December 12, 2023
|
|
Type not found in force fields
|
|
1
|
315
|
November 3, 2023
|
|
Show errors for the example of the multiphase
|
|
0
|
180
|
October 30, 2023
|
|
How to build a vacuum layer above the polymer model
|
|
0
|
200
|
October 30, 2023
|
|
Best way to add rules to OPLS-AA?
|
|
1
|
800
|
October 27, 2023
|
|
EMC, opls-ua toluene return wrong atom types
|
|
3
|
273
|
October 23, 2023
|
|
EMC - Best method to create a certain amount of polymer chains containing 'x' amount of monomers? For Random Copolymers
|
|
2
|
321
|
October 20, 2023
|
|
How to establish non-periodic “bulk”system？
|
|
2
|
204
|
October 16, 2023
|
|
PCFF vs PCFF_ore files
|
|
2
|
377
|
October 13, 2023
|
|
The example "surface" is not follow
|
|
0
|
166
|
October 11, 2023
|
|
Defining new rules for PCFF - amide/imide functional group example
|
|
4
|
329
|
October 9, 2023
|
|
EMC: missing rule for {group, site} = {term, 0}
|
|
4
|
282
|
September 27, 2023
|
|
Tacticity
|
|
1
|
235
|
September 25, 2023
|
|
Importing polyethylene.emc from ./lib directory
|
|
4
|
291
|
September 18, 2023
|
|
Difference between equivalence auto and equivalence in the field file
|
|
1
|
164
|
September 15, 2023
|
|
Applying MC moves using EMC
|
|
0
|
423
|
March 1, 2022
|
|
Missing rule (warnings emerge in the latest version of EMC)
|
|
12
|
445
|
August 28, 2023
|
|
Error: Found nrings != nlinks (43 != 45); increase scanning depth?
|
|
2
|
350
|
July 31, 2023
|
|
EMC for aarch64, or Can I compile it for aarch64 if I have source code
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|
5
|
322
|
July 27, 2023
|
|
Incorrect order for some PCFF class2 terms
|
|
5
|
416
|
July 27, 2023
|