|
Adding missing angle and dihedral parameters
|
|
1
|
288
|
January 19, 2023
|
|
Construct crystalline polymer with EMC
|
|
4
|
353
|
January 18, 2023
|
|
Missing rules for field '~/Desktop/v9.4.4/field/opls/2012/opls-aa.prm'
|
|
2
|
425
|
January 18, 2023
|
|
Polymer with branch
|
|
0
|
350
|
January 5, 2023
|
|
Add missing rules in OPLS-AA FF
|
|
3
|
433
|
January 4, 2023
|
|
Error information of force field appears in the construction of monomer and polymer
|
|
1
|
330
|
January 4, 2023
|
|
Making alternate copolymer
|
|
3
|
374
|
December 27, 2022
|
|
Polymer Between Two Surface Slabs
|
|
1
|
284
|
December 20, 2022
|
|
User defined force field for a polymer
|
|
3
|
416
|
December 18, 2022
|
|
Constructing crystalline PTMO
|
|
0
|
283
|
October 28, 2022
|
|
Missing rules in surface example
|
|
1
|
406
|
October 26, 2022
|
|
SMILES notation for cyclic compounds
|
|
1
|
497
|
September 27, 2022
|
|
Polymer with straight backbone
|
|
6
|
519
|
September 22, 2022
|
|
Read pdb/xyz/mol2 structure instead of SMILES
|
|
7
|
504
|
September 19, 2022
|
|
Python Interface to EMC
|
|
3
|
801
|
September 17, 2022
|
|
Set up EMC for Linux
|
|
1
|
454
|
September 17, 2022
|
|
Error with emc_setup.pl
|
|
2
|
547
|
September 17, 2022
|
|
Polymer with sequential coordinates
|
|
2
|
324
|
September 17, 2022
|
|
How to build a polymer model with non-periodic boundary condition in EMC
|
|
3
|
398
|
September 17, 2022
|
|
How to setup EMC for Windows
|
|
3
|
1002
|
August 4, 2022
|
|
EMC: PCFF force field misses the related parameters of pair {c_1 na}
|
|
4
|
729
|
August 4, 2022
|
|
Updated EMC v9.4.4 including VMD plugin
|
|
3
|
949
|
November 14, 2021
|
|
Linux Installation
|
|
3
|
572
|
July 28, 2022
|
|
Handle missing rules using OPLS FF
|
|
3
|
442
|
July 8, 2022
|
|
Incorporating new moves in EMC
|
|
0
|
297
|
February 18, 2022
|
|
Importing Structures
|
|
1
|
591
|
November 14, 2021
|
|
Rules in TraPPE-UA force field
|
|
1
|
474
|
November 14, 2021
|
|
Defining Rules in EMC Force Field Files
|
|
2
|
584
|
September 29, 2021
|