|
Using minimum distance for umbrella sampling
|
|
11
|
61
|
June 5, 2025
|
|
Mismatch Between Pull-Distance reported while TPR Generation and gmx distance Calculation
|
|
1
|
21
|
April 1, 2025
|
|
Umbrella sampling of drug over whole membrane
|
|
6
|
604
|
March 26, 2025
|
|
Removing certain windows from Umbrella Sampling changes PMF curve
|
|
1
|
830
|
February 8, 2025
|
|
Unfolding a 574 aa protein
|
|
0
|
34
|
February 3, 2025
|
|
Umbrella sampling - what values of force constant and velocity should I use?
|
|
18
|
243
|
December 18, 2024
|
|
Pull-force error
|
|
5
|
30
|
November 15, 2024
|
|
Gromacs umbrella sampling error for pull force calculation
|
|
4
|
78
|
October 30, 2024
|
|
Umbrella Sampling Histogram wrong window distance
|
|
3
|
103
|
September 11, 2024
|
|
Umbrella sampling position restraining force
|
|
2
|
62
|
September 9, 2024
|
|
Error while running a pull in umbrella sampling
|
|
6
|
50
|
August 20, 2024
|
|
Question about absolute reference point/warning for pulling a protein between solvents
|
|
0
|
75
|
July 14, 2024
|
|
Problems in PMF curve of AquaporinZ after umbrella sampling
|
|
18
|
426
|
July 1, 2024
|
|
Pull Code for Umbrella Sampling: Choosing atom as group
|
|
3
|
426
|
June 24, 2024
|
|
Distance restraint on the center of mass distance between 2 monomers in my dimer
|
|
0
|
58
|
April 25, 2024
|
|
Reorientation of glycoprotein for umbrella sampling and where the imaginary spring is attached
|
|
3
|
180
|
April 23, 2024
|
|
Strange PMF profile after umbrella sampling of the peptide pulling
|
|
7
|
609
|
March 5, 2024
|
|
Hwo to Pull Peptide from the Middle?
|
|
1
|
194
|
February 15, 2024
|
|
Pulling simulation for two particles
|
|
2
|
322
|
January 15, 2024
|
|
How do you determine the Pull Direction for a GROMACS umbrella sampling simulation to generate the m
|
|
2
|
376
|
January 5, 2024
|
|
Pulling not run
|
|
3
|
212
|
December 20, 2023
|
|
Using gmx_wham for analysis of NAMD-generated umbrella-sampling
|
|
3
|
338
|
November 15, 2023
|
|
Umbrella sampling: starting frame high distance
|
|
0
|
219
|
October 16, 2023
|
|
Question from umbrella sampling
|
|
6
|
963
|
October 16, 2023
|
|
How to interpert PMF graph in umbrella sampling?
|
|
0
|
303
|
October 13, 2023
|
|
How can I pull 1 out of several molecules towards bilayer center
|
|
13
|
753
|
September 29, 2023
|
|
PMF of a small molecule across a slab that has vapor-liquid interface
|
|
1
|
389
|
August 21, 2023
|
|
Calculate diffusion coefficients for umbrella sampling
|
|
3
|
794
|
July 27, 2023
|
|
Constraining two water droplets at constant distance between their COMs using pull code
|
|
33
|
913
|
May 9, 2023
|
|
Finding the center of mass coordinates of a protein!
|
|
0
|
446
|
April 6, 2023
|