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