|
Mdrun crashes with some md parameter during NPT (gmx compiled for rocm,AdaptiveCPP)
|
|
3
|
15
|
May 18, 2025
|
|
SMD Pulling of DNA Toward Asymmetric Bilayer
|
|
18
|
90
|
May 17, 2025
|
|
How to solve "No default bond types for interaction"
|
|
0
|
1
|
May 16, 2025
|
|
Potentials on gromacs
|
|
0
|
3
|
May 16, 2025
|
|
PC crashes and loses video during heavy simulations on gromacs with RTX 5070 Ti
|
|
7
|
31
|
May 15, 2025
|
|
Water appearing in bilayer core during NPT
|
|
2
|
23
|
May 12, 2025
|
|
Interpretation of Nonzero 14-LJ and 14-Coul Terms for Nonbonded Groups
|
|
7
|
30
|
May 8, 2025
|
|
Density fit tutorial
|
|
0
|
15
|
May 8, 2025
|
|
Update Groups Can't Be Created for GROMACS2024
|
|
2
|
24
|
May 6, 2025
|
|
Protein-Lipid system, protein keeps flipping or jumping
|
|
2
|
30
|
April 25, 2025
|
|
+++ assertion failed: i>0 serial of an atom cannot be zero
|
|
3
|
23
|
April 23, 2025
|
|
Error in docked complex simulation
|
|
1
|
31
|
April 22, 2025
|
|
CGENFF not working
|
|
1
|
36
|
April 20, 2025
|
|
CHARMM-GUI doesn't support selenocysteine (SEC), which is essential for my protein, and I need help
|
|
0
|
20
|
April 18, 2025
|
|
PBC Artifacts in 20 bp DNA System
|
|
0
|
6
|
April 16, 2025
|
|
Gromacs Version
|
|
5
|
661
|
December 6, 2024
|
|
PBC artifact issue
|
|
0
|
23
|
April 12, 2025
|
|
Umbrella-sampling setup of molecule permeation through interface surfactant membrane
|
|
13
|
190
|
April 12, 2025
|
|
Pressure coupling in system of water and gas
|
|
1
|
14
|
April 11, 2025
|
|
Adding new parameters to charmm ff for sulfur-carbon bond
|
|
0
|
11
|
April 10, 2025
|
|
Freezing Water
|
|
1
|
20
|
April 9, 2025
|
|
How to prevent two molecules from interacting with each other?
|
|
3
|
25
|
April 4, 2025
|
|
Is the frame interval important for studying the membrane properties?
|
|
1
|
8
|
April 3, 2025
|
|
Does gmx energy command "Total Energy" include bias potential when I use the pull code?
|
|
1
|
27
|
April 1, 2025
|
|
Error for protein ligand simulation in gromacs
|
|
0
|
15
|
April 1, 2025
|
|
Issue with GROMACS Simulation : MDP file parameters and NVT equilibration
|
|
4
|
40
|
March 31, 2025
|
|
Looking for collaboration to solve a brand new COF's structure
|
|
0
|
10
|
March 29, 2025
|
|
Flat bottom potential at hydrophobic-water interface
|
|
1
|
13
|
March 26, 2025
|
|
No default bond types, rykaert bell types and more
|
|
1
|
17
|
March 24, 2025
|
|
Help me with the workstation configuration for Gromacs
|
|
2
|
35
|
March 24, 2025
|