|
I tried to perform energy minimization using "http://www.mdtutorials.com/gmx/lysozyme/05_EM.html"
|
|
1
|
6
|
October 5, 2024
|
|
Error Coordinat not matching gromacs
|
|
25
|
44
|
October 2, 2024
|
|
Second minimization
|
|
1
|
11
|
August 28, 2024
|
|
Distortion of My nucleosome structure while energy minimization
|
|
2
|
16
|
August 26, 2024
|
|
Issue of High Potential Energy on Running Minimization
|
|
22
|
623
|
August 20, 2024
|
|
Fatal Error topol.tpr file not found
|
|
1
|
18
|
August 16, 2024
|
|
Atomic overlap occurs in energy minimization
|
|
7
|
123
|
August 14, 2024
|
|
Minimization issue
|
|
4
|
35
|
August 8, 2024
|
|
Why membrane rupture durning the energy minimization?
|
|
2
|
17
|
July 29, 2024
|
|
Step 13 and step 28: One or more water molecules can not be settled
|
|
1
|
166
|
July 14, 2024
|
|
I'm getting error as Floating point exception (core dumped) during energy minimization
|
|
11
|
258
|
June 20, 2024
|
|
Hydrogen atom forming more than 1 bond during energy minimization
|
|
3
|
61
|
June 8, 2024
|
|
Why is coulomb SR energy different sign using different forcefields?
|
|
13
|
387
|
April 11, 2024
|
|
Error energy minimization - Martini
|
|
1
|
207
|
March 22, 2024
|
|
Why minimization becomes inf?
|
|
2
|
122
|
March 4, 2024
|
|
Slightly negative energy minimization value
|
|
3
|
292
|
November 21, 2023
|
|
Minimization curve
|
|
2
|
241
|
November 20, 2023
|
|
Error in the EM run
|
|
2
|
255
|
November 14, 2023
|
|
Fatal error: step 22: water molecules starting at atom 7488 can not be settled?
|
|
1
|
249
|
October 4, 2023
|
|
Ligand restraints
|
|
0
|
170
|
July 3, 2023
|
|
Energy minimization works with steepest descent but not conjugate gradient
|
|
3
|
1515
|
June 22, 2023
|
|
Guest molecules leaving hydrate even w/ restraints
|
|
0
|
342
|
May 25, 2023
|
|
ERROR No such moleculetype NA
|
|
14
|
4307
|
May 12, 2023
|
|
Tutorial 2: KALP15 in DPPC EM problem
|
|
1
|
804
|
May 3, 2023
|
|
'topol' does not exist or is not accessible
|
|
1
|
1629
|
April 2, 2023
|
|
Deleting problematic water molecules from .gro files
|
|
1
|
629
|
March 2, 2023
|
|
Energy Minimisation error
|
|
0
|
501
|
February 7, 2023
|
|
Starting with same strutue, EM doesn't converged same structure(or step)
|
|
2
|
260
|
January 31, 2023
|
|
Positive potential energy after energy minimization of alcohol-water system
|
|
2
|
639
|
January 3, 2023
|
|
Minimization converges with gromacs 2021.5, but fails with gromacs 2022.2
|
|
3
|
382
|
November 22, 2022
|