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Rotation of membrane protein
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3
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19
|
May 22, 2022
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Unreasonable umbrella potential plot
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1
|
27
|
May 22, 2022
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Differences in the implementation of 1-4 interactions
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0
|
21
|
May 21, 2022
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Gmx hydorder command output error hi (1.500000) <= lo (1.500000)
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0
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8
|
May 21, 2022
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Syntax Error in a forcefield.itp
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3
|
329
|
May 21, 2022
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Queries about RMSD for Polymer?
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4
|
28
|
May 21, 2022
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Protonation states of N and C terminal of the protein
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3
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16
|
May 20, 2022
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Glycosidic links in sugar chain not recognized by pdb2gmx
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1
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19
|
May 20, 2022
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Removing PBCs as simulation prints
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1
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22
|
May 20, 2022
|
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Running plumed with gromacs
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5
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39
|
May 20, 2022
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Number of contacts between ligand and enzyme - hydrogens yes or no?
|
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5
|
76
|
May 20, 2022
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|
63 atoms are not part of any of the T-Coupling groups
|
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1
|
15
|
May 20, 2022
|
|
Regarding the use of -table and -tablep
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2
|
21
|
May 19, 2022
|
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Simulating a cropped protein complex- termini question
|
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0
|
8
|
May 19, 2022
|
|
Question about nanoparticle
|
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2
|
96
|
May 19, 2022
|
|
Changing the pH of protein
|
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4
|
39
|
May 19, 2022
|
|
Found error after running gmx_mpi mdrun -v -deffnm npt -plumed metad.dat , any solution for that?
|
|
4
|
61
|
May 18, 2022
|
|
Pulling a box in X-direction at a constant rate for calculating Young's Modulus of a solid
|
|
4
|
52
|
May 18, 2022
|
|
Error in Gromacs installation on GPU
|
|
5
|
105
|
May 18, 2022
|
|
Mdrun error with GPU in MacOS
|
|
3
|
68
|
May 18, 2022
|
|
Including parameters in an itp file in topology
|
|
3
|
31
|
May 18, 2022
|
|
How to calculate glass transition temprature?
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0
|
15
|
May 17, 2022
|
|
Need a run input file to select atom types
|
|
1
|
27
|
May 15, 2022
|
|
How to prepare dna for simulation in physiological environments?
|
|
1
|
26
|
May 15, 2022
|
|
Epoxide group in OPLS-AA gromacs file
|
|
0
|
15
|
May 15, 2022
|
|
ERROR: invalid line in complex.gro for atom 2615 during DEFINING UNIT CELL
|
|
15
|
407
|
May 15, 2022
|
|
Is that possible to update the hbond calculation without generating a new trajectory file?
|
|
4
|
35
|
May 14, 2022
|
|
When simulate ball -shaped or 2D bubbles, you should choose NPT or NVT?Is NPT right?
|
|
0
|
18
|
May 14, 2022
|
|
How to add Cadmium parameters in amber OL15 nucleic forcefield?
|
|
0
|
15
|
May 14, 2022
|
|
The largest distance between excluded atoms is 1.725 nm, which is larger than the cut-off distance
|
|
10
|
107
|
May 13, 2022
|