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Prepare HEME topology
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5
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513
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June 17, 2025
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Requirement of Gallium phosphide(GaP) forcefield prameters for MD calculation
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0
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15
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June 8, 2025
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Does bond order in MOL2 file affect rtp generation and pdb2gmx?
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2
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19
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June 5, 2025
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Is it possible to use an eam potential?
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2
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15
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June 5, 2025
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OPLS/2020 force field for GROMACS?
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3
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55
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June 4, 2025
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Confusion over RB and Fourier Dihedrals
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0
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9
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May 29, 2025
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Studying Zn2+ tetrahedal coordination stability
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0
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14
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May 21, 2025
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How to make dihedral force constant in CB9H10 cage boron cluster
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0
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8
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May 21, 2025
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Potential bug in pdb2gmx
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1
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24
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May 20, 2025
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System has non-zero total charge: -1.000000
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1
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23
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May 19, 2025
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ERROR 1 [file dd.itp, line 198]: No default Proper Dih. types
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0
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16
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May 19, 2025
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Fatal error: Residue 175 named GLU of a molecule in the input file was mapped to an entry in the top
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0
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10
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May 18, 2025
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Atom C1 not found in building block 1MET while combining tbp and trp
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0
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14
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May 18, 2025
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Modifying CHARMM GUI files to work with OPC water model and CHARMM36
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9
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99
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May 17, 2025
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How to solve "No default bond types for interaction"
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0
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5
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May 16, 2025
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Topology NON-BONDING parametersproblems
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0
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10
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May 16, 2025
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Ligand Preparation for CHARMM36ff - Issue with halogens (Cl, Br)
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0
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18
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May 13, 2025
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Interpretation of Nonzero 14-LJ and 14-Coul Terms for Nonbonded Groups
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7
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34
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May 8, 2025
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How to add Cu2+ parameters to ions.itp in GAFF forcefield?
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0
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23
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May 2, 2025
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Simulating tripeptide with D-Amino Acids
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0
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26
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April 23, 2025
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Error in docked complex simulation
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1
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33
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April 22, 2025
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CHARMM-GUI doesn't support selenocysteine (SEC), which is essential for my protein, and I need help
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0
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22
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April 18, 2025
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GolP FF Access
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0
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14
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April 17, 2025
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Gromacs Version
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5
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680
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December 6, 2024
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Topology for janus MoSSe
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0
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6
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April 14, 2025
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PBC artifact issue
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0
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25
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April 12, 2025
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Pressure coupling in system of water and gas
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1
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18
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April 11, 2025
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Online server for MINFF and CLAYFF topologies
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0
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44
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April 10, 2025
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Adding new parameters to charmm ff for sulfur-carbon bond
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0
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12
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April 10, 2025
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Grompp handling bonded potentials
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14
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51
|
April 7, 2025
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