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CHARMM36 to GROMACS porting
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3
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16
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May 6, 2021
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How to predict low temperature structure of ionic liquids using MD simulation?
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0
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6
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May 6, 2021
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Protein/cofactor + ligand
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7
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31
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May 5, 2021
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Adding SEP parameter to AMBER99SB.ff
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11
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39
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May 3, 2021
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Atypical nucleotides missing in the newest versions of CHARMM36
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4
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28
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April 30, 2021
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invalid order of directives cmaptype
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1
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13
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April 29, 2021
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Atomname problem while adding a residue to a forcefield
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2
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15
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April 22, 2021
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Atom Type not defined- Regarding Graphene sheet
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5
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29
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April 21, 2021
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Adding a covalent ligand to a force field
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14
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337
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April 19, 2021
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Include 9AZR force field residue for ATB automatically generated pdb file
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20
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86
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April 19, 2021
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Parameterising a Morse potential
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2
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24
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April 16, 2021
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Capping residue ACE not recognised from the rtp file
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8
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65
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April 16, 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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8
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42
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April 14, 2021
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Rtp file and gro file
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2
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33
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April 14, 2021
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.str validation
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1
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24
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April 14, 2021
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LigParGen vs. TPPMKTOP for organic solvent
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0
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27
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April 9, 2021
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Combining files from LigParGen
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1
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23
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April 8, 2021
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Convert itp file
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1
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20
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April 6, 2021
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convert itp file
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0
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10
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April 4, 2021
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Neural Network Energy Potential with Tabulated interaction functions
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2
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33
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March 31, 2021
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WARNING [file forcefield.itp, line 1]: Too few parameters on line || WARNING: net charge
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4
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28
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March 30, 2021
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Pdb2gmx takes x10 more time when run on gro rather than pdb. WHY?
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0
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15
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March 25, 2021
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Atom not in the rtp entry reported not to be found in the input file
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3
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39
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March 23, 2021
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Error While Simulating Carbon Nanotube in Water
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1
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29
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March 22, 2021
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Parameter error between GMX 2020.1 and GMX 5.1.1
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6
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43
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March 22, 2021
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H-bond constraint
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2
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51
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March 22, 2021
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Non-integer charges of arginine
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5
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65
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March 20, 2021
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Building topology for medium-sized non-biological molecules
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1
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19
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March 17, 2021
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Using tabulated potentials in gromacs
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4
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39
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March 16, 2021
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Calculating 1-4 Lennard Jones interactions
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5
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51
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March 15, 2021
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