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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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48
|
July 20, 2021
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Capping residue ACE not recognised from the rtp file
|
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9
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132
|
July 15, 2021
|
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Pdb2gmx cannot recognize HT3 or HT1 atoms occasionally?
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2
|
8
|
July 12, 2021
|
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Non-integer charges of arginine
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7
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125
|
July 4, 2021
|
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Pdb2gmx makes a handful of dihedrals without functions
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1
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23
|
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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33
|
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
|
19
|
June 4, 2021
|
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Charmm36 does not recognize CU atom
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4
|
63
|
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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40
|
April 25, 2021
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Atomname problem while adding a residue to a forcefield
|
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2
|
28
|
April 22, 2021
|
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Pdb2gmx broken for single-residue structures in GROMACS 2021.1
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7
|
74
|
April 21, 2021
|
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Include 9AZR force field residue for ATB automatically generated pdb file
|
|
20
|
176
|
April 19, 2021
|
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Adding a new residue to topology
|
|
1
|
49
|
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
|
25
|
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
|
72
|
March 23, 2021
|
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Pdb2gmx command stops/hangs
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2
|
29
|
March 16, 2021
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