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Meaning of epsilon-r in mdp files
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2
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1018
|
July 7, 2022
|
|
Pressure ramp in GROMACS
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2
|
267
|
July 7, 2022
|
|
Number of replicas in the REST2
|
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0
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363
|
July 7, 2022
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ERROR 1 [file topol_Protein_chain_a.itp, line 22]: moleculetype Protein_chain_a is redefined
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0
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448
|
July 7, 2022
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|
Help Running Simulation of Liposome Fusion
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0
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411
|
July 6, 2022
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Error While Adding Ions.Please Help. Urgent
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0
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309
|
July 6, 2022
|
|
Python gmxapi.error
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8
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1011
|
July 5, 2022
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Unreasonable umbrella potential plot
|
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2
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1088
|
July 5, 2022
|
|
-multi option with mdrun in GROMAS + PLUMED
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4
|
715
|
July 5, 2022
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Charmm FF Topology for substituted Heteroatom Residue
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0
|
382
|
July 5, 2022
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Influence of tau_t, tau_p values in thermostat, barostat during equilibration
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0
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411
|
July 4, 2022
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Wrong H-bond lifetime in Water's MD simulation
|
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0
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443
|
July 4, 2022
|
|
Type 9 dihedral with multiple entries in [dihedraltypes]
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2
|
1060
|
July 3, 2022
|
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Extracting coordinates of solvents that are moving in a channel
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1
|
239
|
July 3, 2022
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Average distance from surface
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0
|
310
|
July 3, 2022
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GROMCA drude version performance does not scale with increaseing OpenMP threads
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2
|
380
|
July 3, 2022
|
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Energy min grompp
|
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4
|
720
|
July 1, 2022
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Gmx_trajectory and dynamic index
|
|
6
|
1104
|
July 1, 2022
|
|
Make GROMACS available to all users
|
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4
|
806
|
July 1, 2022
|
|
Gas or Vacuum phase
|
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1
|
401
|
July 1, 2022
|
|
Guidance for high pressure simulations
|
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0
|
350
|
June 30, 2022
|
|
How can I continue a simulation from the midway of a trajectory (possibly from a trr file)
|
|
1
|
878
|
June 30, 2022
|
|
Amber Protein FF suggestion (upgrade from amberff99SBildn)
|
|
0
|
503
|
June 30, 2022
|
|
Problems equilibrating a heterogenous lipid bilayer made with dppc, dupc and cholesterol
|
|
0
|
368
|
June 29, 2022
|
|
Group Water_and_ions referenced in the .mdp file was not found in the index file
|
|
0
|
606
|
June 29, 2022
|
|
Fatal error: Topology include file "/usr/local/gromacs/share/gromacs/top/oplsaa.ff/forcefield.itp" n
|
|
2
|
441
|
June 28, 2022
|
|
How to add GAFF force field to gromcs?
|
|
3
|
2507
|
June 28, 2022
|
|
How can we generate itp file for flat-bottom position restraint?
|
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3
|
2620
|
June 28, 2022
|
|
How to measure discrete charge-charge interactions
|
|
1
|
282
|
June 28, 2022
|
|
Simulation with ATP
|
|
1
|
291
|
June 28, 2022
|