|
Regarding viscosity calculation
|
|
8
|
85
|
September 25, 2023
|
|
Pulling MD - pullforce has multiplie peaks
|
|
0
|
18
|
September 25, 2023
|
|
Error in recentering and rewrapping coordinates
|
|
3
|
40
|
September 25, 2023
|
|
Calculation stopped but job not finished
|
|
4
|
34
|
September 25, 2023
|
|
How to create a .tpr file with only C-alpha's information?
|
|
0
|
13
|
September 25, 2023
|
|
Error in python3 cgenff_charmm2gmx_py3_nx2.py ligand ligand_fix.mol2 ligand.str charmm36-jul2022.ff
|
|
3
|
132
|
September 25, 2023
|
|
GMX_order - Fatal error: grp 1 does not have same number of elements as grp 1
|
|
5
|
41
|
September 24, 2023
|
|
Enabling GPU after GROMACS installation
|
|
1
|
26
|
September 24, 2023
|
|
1 millisecond Coarse Grained simulation
|
|
2
|
35
|
September 24, 2023
|
|
Viscosity of isotropic system
|
|
1
|
178
|
September 24, 2023
|
|
Viscosity calculation by gmx tcaf
|
|
3
|
740
|
September 24, 2023
|
|
Which strategy is best for creating topology files for large molecules?
|
|
7
|
151
|
September 23, 2023
|
|
Protein-Protein simulation where one protein is a trimer
|
|
1
|
24
|
September 23, 2023
|
|
Different values for gen-seed in mdp file
|
|
7
|
368
|
September 23, 2023
|
|
How to calculate stiffness of the interface
|
|
0
|
19
|
September 23, 2023
|
|
Protein-ligand simulation gromacs 20.04
|
|
0
|
28
|
September 23, 2023
|
|
Gmx2023 vacuum bubbles between membrane leaflets
|
|
9
|
73
|
September 22, 2023
|
|
Gmx distance using bash for loop
|
|
5
|
591
|
February 8, 2022
|
|
Trouble understanding bonded cut-off distance in DD
|
|
7
|
664
|
September 22, 2023
|
|
Error build 2023.2, 2023.1 and 2022.6 with gcc/11.4.0 and cuda/11.8.0
|
|
0
|
28
|
September 21, 2023
|
|
Topology error
|
|
1
|
30
|
September 21, 2023
|
|
Why Fatal error: Unexpected cudaStreamQuery failure happend in gromacs2019?
|
|
2
|
33
|
September 21, 2023
|
|
Mdp guidelines
|
|
1
|
29
|
September 21, 2023
|
|
Effect of Ubuntu installation on SD card on the simulation speed
|
|
1
|
33
|
September 21, 2023
|
|
Pressure scaling more than 1%
|
|
5
|
1932
|
September 21, 2023
|
|
Problem running gromacs with GPU
|
|
1
|
37
|
September 21, 2023
|
|
Fatal error: Unexpected cudaStreamQuery failure: an illegal memory access was encountered
|
|
3
|
946
|
September 21, 2023
|
|
What can be the variation of lennard jones long range interactions between enzyme and a metal ion?
|
|
0
|
21
|
September 20, 2023
|
|
Box distortion in simulation of an ion channel with electric field
|
|
13
|
562
|
September 20, 2023
|
|
Anisotropic pressure setting for curvature membrane
|
|
0
|
28
|
September 20, 2023
|