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Does GROMOS96 53a6 support N-methyl acetamide?
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1
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15
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October 13, 2021
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Terminal capping topology: how rtp and *.tdb are combined?
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2
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34
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September 21, 2021
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Syntax for selection in atom renaming (.arn) file
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0
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17
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September 9, 2021
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Hydrogen atom numbering
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2
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37
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August 30, 2021
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Capping residue ACE not recognised from the rtp file
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13
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294
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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
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69
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August 4, 2021
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CHARMM-36 FF glycoprotein simulation: error no residue type find on rtp
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3
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58
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July 29, 2021
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MD simulation of hydroxyapatite [ 110 ] surface slab using GROMACS
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0
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51
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July 27, 2021
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Distance calculation between four different protein residues and the ligand molecule as a function o
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7
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85
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July 20, 2021
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Pdb2gmx cannot recognize HT3 or HT1 atoms occasionally?
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2
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35
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July 12, 2021
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Non-integer charges of arginine
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7
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204
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July 4, 2021
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Pdb2gmx makes a handful of dihedrals without functions
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1
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43
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June 21, 2021
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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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4
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102
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June 6, 2021
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"Can't find dummy mass for type CT bonded to type C8 in the virtual site database (.vsd files)"
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0
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43
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June 4, 2021
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Charmm36 does not recognize CU atom
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4
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87
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May 17, 2021
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I found gmx pdb2gmx is very slow when I create .top of big polymer [with 37w atoms]
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0
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56
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April 25, 2021
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Atomname problem while adding a residue to a forcefield
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2
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41
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April 22, 2021
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Pdb2gmx broken for single-residue structures in GROMACS 2021.1
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7
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115
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April 21, 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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284
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April 19, 2021
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Adding a new residue to topology
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1
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65
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April 8, 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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37
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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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164
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March 23, 2021
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Pdb2gmx command stops/hangs
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2
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41
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March 16, 2021
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