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Introducing New atom to the Gromacs forcefield
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2
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40
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September 28, 2022
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Problem in generating topology file of a polymer
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9
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75
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September 21, 2022
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A shift in molecules between topol.top and solv.gro
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1
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25
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September 18, 2022
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Warnings in Gromacs
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6
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62
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September 7, 2022
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Why huge amount of SOL added during gmx genion in some cases?
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5
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77
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September 3, 2022
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Little to no movement or change in protein structure after 50ns MD
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2
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57
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September 2, 2022
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How to generate topology files for a peptide having unnatural amino acid and a flexible linker
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0
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31
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August 30, 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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12
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276
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August 25, 2022
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Secondary neutral amine becomes planar due to wrong virtual site construction
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3
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50
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August 25, 2022
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New residue top
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25
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223
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August 18, 2022
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Help on how to solve "atom N not found in building block 1ADE while combining tdb and rtp"
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7
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883
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August 15, 2022
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Energy minimization errors
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3
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151
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August 11, 2022
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Which force field is preferable for the stochastic collision dynamics of Ionic compund?
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0
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48
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August 9, 2022
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Acetyllysine parameters
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0
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48
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July 30, 2022
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Need to create water simulation box using spce water model
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6
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105
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July 23, 2022
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Adding new residue to charmmForcefield
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5
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100
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July 10, 2022
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Rtp conversion charmm36
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0
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37
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July 5, 2022
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Charmm FF Topology for substituted Heteroatom Residue
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0
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46
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July 5, 2022
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Error when adding new residue to hdb (CHARMM36)
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3
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61
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June 26, 2022
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Amber dynamic molecular
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0
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55
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June 23, 2022
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Adding modified amino acids - pdb2gmx issue
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2
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61
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June 22, 2022
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Glycosidic links in sugar chain not recognized by pdb2gmx
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1
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74
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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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133
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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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188
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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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190
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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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77
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April 28, 2022
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Error in pdb2gmx
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2
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89
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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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155
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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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145
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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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131
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March 3, 2022
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