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Mis match bwtween the topol.top and solv.gro file
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14
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1202
|
June 11, 2023
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Error while generating tpr files
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10
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507
|
May 20, 2023
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PBC correction during Umbrella sampling configuration generation
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2
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281
|
May 19, 2023
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Non-Zero Total Charges in Simulation
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0
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391
|
May 15, 2023
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Chimera error "unexpected end of file" caused by .tpr files generated by 2020 and 2021 versions
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2
|
633
|
May 9, 2023
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|
Error with "gmx grompp -f minim.mdp -c dmpc_npat.pdb -p topol_dmpc.top -o dmpc.tpr" command
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4
|
495
|
April 26, 2023
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Restoring velocity in a simulation
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1
|
282
|
April 25, 2023
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|
Fatal error: There were 2 errors in input file(s)
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13
|
3060
|
April 21, 2023
|
|
Unknown cmap torsion
|
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6
|
570
|
April 20, 2023
|
|
Unknown cmap torsion between atoms near modified residue
|
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0
|
316
|
April 20, 2023
|
|
System has non-zero total charge: 0.000200 You are using a plain Coulomb cut-off, which might produc
|
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18
|
2343
|
April 20, 2023
|
|
Error during Gromacs energy minimization
|
|
1
|
524
|
April 15, 2023
|
|
How do I pass .itp position restraints to grompp?
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3
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1189
|
April 3, 2023
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Energy minimization not happening
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6
|
540
|
March 14, 2023
|
|
Cmap potentials in GROMACS 2019 and after
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9
|
730
|
March 3, 2023
|
|
Error message
|
|
2
|
342
|
February 26, 2023
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|
An error while executing command : gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr
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5
|
1484
|
February 17, 2023
|
|
Relation between mdp file and gmx mdrun
|
|
1
|
394
|
February 15, 2023
|
|
No default Bond types, U-B types and Proper Dih. types
|
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3
|
2016
|
February 10, 2023
|
|
Overriding Proper Dih. parameters
|
|
2
|
309
|
January 28, 2023
|
|
Syntax error - File UNL.itp, line 6 Last line read: '[ atomtypes ]' Invalid order for directive atom
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|
1
|
871
|
January 24, 2023
|
|
Gmx grompp stops prematurely without errors
|
|
1
|
415
|
January 17, 2023
|
|
GROMACS Tutorial KAPL in DPCC
|
|
0
|
421
|
January 16, 2023
|
|
Restrain initial structure during equilibration
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|
2
|
322
|
January 9, 2023
|
|
How to construct the constant speed shear simulation?
|
|
0
|
537
|
December 23, 2022
|
|
MPI_ABORT causes Open MPI to kill all MPI processes in gmx_mpi command
|
|
5
|
7312
|
December 12, 2022
|
|
'[ atomtypes ]' Invalid order for directive atomtypes
|
|
1
|
597
|
December 3, 2022
|
|
Ionic crystal behaviour in Gromacs
|
|
0
|
267
|
December 1, 2022
|
|
Free energy perturbation for part of a molecule
|
|
2
|
845
|
November 17, 2022
|
|
GROMACS throwing errors on charmm GUI output
|
|
0
|
506
|
October 12, 2022
|