|
ERROR No such moleculetype NA
|
|
14
|
5368
|
May 12, 2023
|
|
Tutorial 2: KALP15 in DPPC EM problem
|
|
1
|
1060
|
May 3, 2023
|
|
Deleting problematic water molecules from .gro files
|
|
1
|
805
|
March 2, 2023
|
|
Energy Minimisation error
|
|
0
|
626
|
February 7, 2023
|
|
Starting with same strutue, EM doesn't converged same structure(or step)
|
|
2
|
314
|
January 31, 2023
|
|
Positive potential energy after energy minimization of alcohol-water system
|
|
2
|
732
|
January 3, 2023
|
|
Minimization converges with gromacs 2021.5, but fails with gromacs 2022.2
|
|
3
|
420
|
November 22, 2022
|
|
Molecules change the shape in energy-minimization step
|
|
1
|
376
|
April 28, 2022
|
|
Minimization in vacuum without PBC
|
|
14
|
7647
|
July 17, 2021
|
|
Blowups with de novo peptides
|
|
0
|
365
|
May 15, 2021
|