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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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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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CMAP in Cyclic peptide topolgy file
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9
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114
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May 11, 2022
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Non-zero net charge at pdb2gmx leads to fatal error in grompp
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9
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69
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May 3, 2022
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Add covalent ligand topology in CHARMM36
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1
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21
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April 28, 2022
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Error in pdb2gmx
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2
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50
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April 7, 2022
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No default type errors -NH2 and COO- amino acid termini patches for pH 10 simulations
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3
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61
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April 7, 2022
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Charmm36-jul2021.ff problem with glycine and default C-terminus
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2
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57
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March 30, 2022
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Atom H1 in residue ACE 1 was not found in rtp entry
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1
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50
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March 3, 2022
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Still can't build NMA in GROMOS - help please!
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1
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76
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February 11, 2022
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Using parameters of a drug from supplementary information of paper
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12
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129
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February 3, 2022
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How can I generate a topology for a peptide contain unnatural amino acids and a linker ?
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6
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98
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January 26, 2022
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Combine LigParGen and Packmol to make Gromacs input
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0
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78
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January 21, 2022
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Rtp database - residue mismatch
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3
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64
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January 19, 2022
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Zinc Finger Bonded Method
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6
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111
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December 24, 2021
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Pdb2gmx looking in wrong directory even though I changed GMXLIB
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1
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42
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December 14, 2021
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Why did I get an error related to the terminal caps?
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3
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53
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December 13, 2021
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Virtual sites not right for terminal NH2-group
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0
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45
|
December 9, 2021
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Error while working with ADP as a cofactor
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3
|
80
|
December 4, 2021
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Problem with acetylated and amidated termini in pdb2gmx command
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0
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67
|
November 24, 2021
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Non-integer charge in DNA using CHARMM36 force-field
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8
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134
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November 23, 2021
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Aptamer-Protein Interaction
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2
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91
|
November 19, 2021
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Pdb2gmx makes a handful of dihedrals without functions
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2
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92
|
November 1, 2021
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Does GROMOS96 53a6 support N-methyl acetamide?
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1
|
80
|
October 13, 2021
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Terminal capping topology: how rtp and *.tdb are combined?
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2
|
227
|
September 21, 2021
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Syntax for selection in atom renaming (.arn) file
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0
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73
|
September 9, 2021
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Hydrogen atom numbering
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2
|
79
|
August 30, 2021
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Capping residue ACE not recognised from the rtp file
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13
|
832
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August 23, 2021
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Errors in generating topology for RNA with unnatural residues
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2
|
175
|
August 4, 2021
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CHARMM-36 FF glycoprotein simulation: error no residue type find on rtp
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3
|
177
|
July 29, 2021
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