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Create Ligand topology file
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8
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22
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January 23, 2022
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Combine LigParGen and Packmol to make Gromacs input
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0
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10
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January 21, 2022
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Ligand parametrization
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1
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23
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January 19, 2022
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How do I solve this problem? - Fatal error in Gromacs
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11
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42
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January 17, 2022
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An error occurred while executing the Adding Ions command
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5
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43
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January 14, 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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4
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27
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January 10, 2022
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How to apply position restrain on one molecule in umbrella sampling?
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1
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19
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January 9, 2022
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Residue Name for C-terminated Amide in CHARMM Force Fields
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2
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23
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January 5, 2022
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Why did ligand leave the binding pocket?
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0
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29
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January 4, 2022
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Setting up a virtual site to represent a dummy(=massless) LJ sphere
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1
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51
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January 2, 2022
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Custom pair reactions
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5
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50
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January 1, 2022
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Alternative to CGenFF for generating large ligand topology
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3
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39
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December 30, 2021
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WARNING [file forcefield.itp, line 1]: Too few parameters on line || WARNING: net charge
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6
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115
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December 27, 2021
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Zinc Finger Bonded Method
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6
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48
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December 24, 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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25
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December 13, 2021
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1. How to generate ligand(hetero group) .gro file .itp file and .prm file for Amber and OPLS force
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9
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142
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December 12, 2021
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Virtual sites not right for terminal NH2-group
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0
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17
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December 9, 2021
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MD simulation of carbohydrates
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0
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34
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December 9, 2021
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Start from crystal structure in .cif file
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0
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17
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December 8, 2021
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Prepare HEME topology
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0
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25
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December 3, 2021
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Calculating 1-4 Lennard Jones interactions
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6
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150
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December 1, 2021
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Problem with acetylated and amidated termini in pdb2gmx command
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0
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35
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November 24, 2021
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Using diffrent 1-4 interaction scalings in one system
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1
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63
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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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76
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November 23, 2021
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PACE force field
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1
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29
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November 18, 2021
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Amber ff19sb
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7
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121
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November 16, 2021
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GROMACS implementation of the AMBER99SB-UCB force field
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0
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80
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July 9, 2021
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How do I combine two topology files of a nano-pore and a water model
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1
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33
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November 11, 2021
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Newest CHARMM36 port for GROMACS
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6
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535
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November 10, 2021
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Mixing two force field at an interface
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0
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25
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November 10, 2021
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