|
Protein ns MD simulation and other times recommended inquiry?
|
|
21
|
500
|
January 8, 2026
|
|
Installation of GROMACS on a intel Arc A750 GPUs
|
|
2
|
32
|
January 8, 2026
|
|
Conducting MD simulation on a zinc metalloprotein with 4 zinc ions
|
|
0
|
34
|
January 7, 2026
|
|
Is it possible to add other form of lennard jones potential form (such as LJ9-3, LJ6-3) in gromacs?
|
|
3
|
55
|
January 7, 2026
|
|
Fatal error: number of coordinates in coordinate file does not match topology file
|
|
7
|
1775
|
January 7, 2026
|
|
Steered MD Simulation using Gromacs
|
|
2
|
57
|
January 7, 2026
|
|
Does GROMACS distinguish Rp/Sp chiral phosphate modifications at O1P vs O2P in DNA?
|
|
0
|
14
|
January 5, 2026
|
|
High pressure in x and y axis in a buble in a nano channel
|
|
2
|
29
|
January 5, 2026
|
|
Non-integer total charge after partial charge replacement for a covalent Cys–maleimide patch
|
|
0
|
37
|
December 31, 2025
|
|
Colvars' distancePairs to get minimum distance between molecules
|
|
1
|
32
|
December 30, 2025
|
|
Installation error, missing libcufft.so.10
|
|
2
|
412
|
December 29, 2025
|
|
Should I manually set -ntomp 16 or let Gromacs auto-configure its settings？
|
|
4
|
94
|
December 29, 2025
|
|
Regressiontests/complex tests fail with intelmpi GHROMACS build
|
|
0
|
29
|
December 23, 2025
|
|
Allow extra mpiexec parameters for GNU openmpi tests run
|
|
0
|
27
|
December 23, 2025
|
|
PMF for angle rotations
|
|
2
|
737
|
December 19, 2025
|
|
GROMACS functions for dihedral angles
|
|
1
|
381
|
December 19, 2025
|
|
Clarification on gmx select moltype syntax in GROMACS 2025.3
|
|
1
|
41
|
December 17, 2025
|
|
Best practice for using newer AMBER force fields (ff19SB) in GROMACS?
|
|
3
|
482
|
December 17, 2025
|
|
Unusal barostat instability when using rocm-heffte that is not present when using vkfft
|
|
1
|
48
|
December 16, 2025
|
|
Fourierspacing
|
|
4
|
107
|
December 16, 2025
|
|
Issue with Replica Index Mismatch During Demultiplexing in REST2 Simulations
|
|
1
|
73
|
December 16, 2025
|
|
How can we remove translational motion in a specific group?
|
|
1
|
70
|
December 16, 2025
|
|
Unphysical Behavior of Contact Autocorrelation Function for Mobile–Fixed Pairs in GROMACS?
|
|
0
|
40
|
December 16, 2025
|
|
Wrapping trajectories in trjconv
|
|
5
|
136
|
December 15, 2025
|
|
Is it possible to extract coordinates from a .cpt file?
|
|
4
|
66
|
December 15, 2025
|
|
Please help me! Low GROMACS performance on RTX 5090
|
|
7
|
756
|
December 14, 2025
|
|
Awh friction tensor and friction metric relation with two reaction coordinates
|
|
5
|
77
|
December 12, 2025
|
|
Doubt regarding Gmx hbond analysis
|
|
9
|
2065
|
December 11, 2025
|
|
State of native PLUMED interface in GROMACS
|
|
5
|
172
|
December 10, 2025
|
|
Unexpected “empty spaces” / low local density after NVT equilibration despite successful EM - Is thi
|
|
8
|
141
|
December 9, 2025
|