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Gmx hydorder command output error hi (1.500000) <= lo (1.500000)
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1
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315
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July 24, 2024
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Concatenate pbd/gro files into a trajectory
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3
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22
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July 22, 2024
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Fix two separate DNA strands after simulation using -pbc cluster
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0
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5
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July 22, 2024
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Error in running gmx_MMPBSA_test
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0
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13
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July 16, 2024
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Viscosity of pure liquid
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20
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990
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July 14, 2024
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Keep the two strands of DNA together
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3
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16
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July 13, 2024
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PMF from SMD simulations using constant force option
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6
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87
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July 12, 2024
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Gmx energy giving infinite potential, gmx analyze gives normal values
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0
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12
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July 11, 2024
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Regarding viscosity calculation
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9
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467
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July 8, 2024
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Perform WHAM with rotation output file from enforced rotation md simulations for umbrella sampling
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13
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624
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July 8, 2024
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PCA on simulations of different MD structures
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1
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52
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July 3, 2024
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Problem in generating parameter file for Ni complex as ligand
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0
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35
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June 30, 2024
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Tutorial 2 KALP15 in DPPC at http://www.mdtutorials.com/gmx/index.html
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5
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83
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June 26, 2024
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Gmx clustsize
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0
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43
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June 25, 2024
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When I run hbond, an error occurs in the step "Merging hbonds with Acceptor and Donor swapped."
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1
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40
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June 24, 2024
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Nucleic Acid Dihedrals
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0
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34
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June 24, 2024
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Biotite dssp subprocess error: exited with error code 6
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0
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38
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June 22, 2024
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Comparing Interaction Energy Analysis: QM vs. Force Field Approaches
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1
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55
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June 21, 2024
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C-rescale barostat
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2
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205
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June 20, 2024
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Selecting closest N water to ligand using trjorder
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0
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48
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June 18, 2024
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Error while running writing the topology
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2
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397
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June 18, 2024
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What are acceptable values of s_A and s_B terms in the output of gmx bar command
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4
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78
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June 17, 2024
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DSSP wont run for one chain of dimeric peptide connected by dissulfide bond
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6
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101
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June 4, 2024
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Salt bridges
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0
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57
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June 3, 2024
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Severe problem in center of mass calculation
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2
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62
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May 30, 2024
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Calculation of distance between two atoms (amino acid and linad)
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3
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68
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May 30, 2024
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Confirming equilibration with RMSD
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1
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78
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May 29, 2024
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MD analysis for apo-protein is going wrong
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1
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90
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May 22, 2024
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Gmx sasa question
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2
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90
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May 20, 2024
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Issue with re-wrapping and re-centering peptide-protein system
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1
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314
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May 19, 2024
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