Messages by Thread
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[gmx-users] 1 particles communicated to PME rank 0 are more than 2/3 times the cut-off out of the domain decomposition cell of their charge group in dimension x.
Farideh Badalkhani Khamseh
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[gmx-users] Problem running simulation on gromacs 2018.8 version
pooja kesari
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[gmx-users] Regarding multiple ligands' topology
Mijiddorj B
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[gmx-users] printing option
Hadi Rahmaninejad
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[gmx-users] polymer & peptide interaction pbc, visualization problem
Sezai-Raif Baydan
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[gmx-users] gmx trjorder
Pandya, Akash
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[gmx-users] Load Imbalance
Shradheya R.R. Gupta
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[gmx-users] Stochastic Dynamics nsttcouple
John Whittaker
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[gmx-users] calculation of cross sectional area of protein on lipid
SHAHEE ISLAM
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[gmx-users] Time step mismatch.
Maryam
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[gmx-users] Polymer parameter preparation using CHARMM-GUI
Mijiddorj B
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[gmx-users] gmx gangle in a for loop
Alex
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[gmx-users] mac OS Catalina segmentation fault
Daskalakis Vangelis
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[gmx-users] Slurm for GROMACS
Shradheya R.R. Gupta
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[gmx-users] Error in DNA.itp file
Ayesha Kanwal
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[gmx-users] Ruuning MD simulation on laptop
Swapnil Bhujbal
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[gmx-users] Polymer parameter preparation using CHARMM-GUI
Mijiddorj B
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[gmx-users] Regarding force field for silicon oxide
Mijiddorj B
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[gmx-users] GaMD in GROMACS
Ram Mahato
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[gmx-users] How to build and simulate POPE/POPG bilayer with gromos54a7 force field
daniel depope
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[gmx-users] Automated Topology Builder changes randomly name of molecule submited
daniel depope
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[gmx-users] issues by simulating adsorption of peptide on a polymer surface
Baydan, Sezai-Raif
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Re: [gmx-users] ligand topology building.
Yogesh Sharma
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[gmx-users] cmake fails with custom gcc version
Mahmood Naderan
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[gmx-users] ligand topology building
Yogesh Sharma
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[gmx-users] Iterative Boltzman Inversion
Maryam Sadeghi
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[gmx-users] Output from gmx h2order
Decai Yu
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[gmx-users] Umbrella Sampling on Lipid Bilayers, Pulling Issue and Umbrella Sampling Window Simulation Issues.
Alexander Phillips
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[gmx-users] Regarding force field for silicon oxide
Mijiddorj B
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[gmx-users] Second beta release of GROMACS 2020
Paul bauer
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[gmx-users] How to run GROMACS in cluster
Shradheya R.R. Gupta
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[gmx-users] Regarding free energy calculation
Rakesh Mishra
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[gmx-users] Regarding silicon oxide parameter
Mijiddorj B
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[gmx-users] Works well on CPU, not on GPU
Alex
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[gmx-users] regarding rmsd calculaton
shakuntala dhurua
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[gmx-users] error
Vidhu Agrawal
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[gmx-users] Simulated Annealing General Procedure
Neena Susan Eappen
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[gmx-users] Facing problem to generate .tpr file
rakesh parida
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[gmx-users] how to perform analysis in faster with multicore/processor
Nikhil Maroli
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[gmx-users] Creating distance restraints between two atoms of different molecules
Mustafa Tekpinar
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[gmx-users] error in Umbrella sampling
Bratin Kumar Das
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[gmx-users] Reg: GPU use
Bidhan Chandra Garain
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[gmx-users] defining parameters in a separate itp file
Dave M
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[gmx-users] NVT equilibration of protein on membrane surface
Olga Press
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[gmx-users] strange structure after energy minimization
Albert
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[gmx-users] Fwd:
saranya
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[gmx-users] Pressure outputs from gmx energy
Anh Vo
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[gmx-users] How to run on cluster
Shradheya R.R. Gupta
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[gmx-users] gmx trjcat
Alex
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[gmx-users] Non-zero total charge
shyama murali
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[gmx-users] Temperature coupling group and center-of-mass (COM) motion removal in simulation of protein on membrane surface
Olga Press
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[gmx-users] gmx rdf not reading gmx checked trr file.
Jones de Andrade
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[gmx-users] Obtaining stress-strain curves: Parrinello-Rahman, anisotropic and deform
Nigel Hew
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[gmx-users] how to select head groups of lipid within 10 angstrom of protein
SHAHEE ISLAM
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Re: [gmx-users] QM/MM run tips or tutorials (Bogdanov, Vladimir)
Groenhof, Gerrit
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[gmx-users] Average structure from trajectory
Jacek Artur Kozuch
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[gmx-users] QM/MM run tips or tutorials
Bogdanov, Vladimir
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[gmx-users] Define intermolecular interactions in L-J simulation
Li, Shi
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[gmx-users] setting up osmotic gradient across bilayer.
Yogesh Sharma
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[gmx-users] supercell
Alex
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Re: [gmx-users] GROMACS showing error
Szilárd Páll
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[gmx-users] Tabulate potential
Tam, Benjamin
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[gmx-users] surface energy for polymer boxes
Maria Luisa
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[gmx-users] Frozen group moves!
Alex
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[gmx-users] Intermolecular Nonbonded Interactions
Batuhan Kav
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[gmx-users] Advice for free energy perturbation calculations
Raphaël Robidas
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[gmx-users] regression test errors
Dave M
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[gmx-users] Problem on pbc atom
Mahsa Rezaei
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[gmx-users] Changing the default cuda path
Mahmood Naderan