Messages by Date
-
2019/10/27
Re: [gmx-users] NVT equilibration of protein on membrane surface
Justin Lemkul
-
2019/10/27
Re: [gmx-users] NVT equilibration of protein on membrane surface
Olga Press
-
2019/10/27
Re: [gmx-users] NVT equilibration of protein on membrane surface
Justin Lemkul
-
2019/10/27
[gmx-users] NVT equilibration of protein on membrane surface
Olga Press
-
2019/10/27
Re: [gmx-users] strange structure after energy minimization
Albert
-
2019/10/27
Re: [gmx-users] strange structure after energy minimization
Justin Lemkul
-
2019/10/27
Re: [gmx-users] Fwd:
Justin Lemkul
-
2019/10/27
Re: [gmx-users] Pressure outputs from gmx energy
Justin Lemkul
-
2019/10/27
[gmx-users] strange structure after energy minimization
Albert
-
2019/10/27
[gmx-users] Fwd:
saranya
-
2019/10/26
[gmx-users] Pressure outputs from gmx energy
Anh Vo
-
2019/10/26
[gmx-users] How to run on cluster
Shradheya R.R. Gupta
-
2019/10/26
[gmx-users] How to run on cluster
Shradheya R.R. Gupta
-
2019/10/26
[gmx-users] gmx trjcat
Alex
-
2019/10/26
Re: [gmx-users] Non-zero total charge
Jones de Andrade
-
2019/10/26
[gmx-users] Non-zero total charge
shyama murali
-
2019/10/26
[gmx-users] Temperature coupling group and center-of-mass (COM) motion removal in simulation of protein on membrane surface
Olga Press
-
2019/10/25
[gmx-users] gmx rdf not reading gmx checked trr file.
Jones de Andrade
-
2019/10/25
Re: [gmx-users] Fatal Error when launching gromacs 2019.2 on GPU.
Szilárd Páll
-
2019/10/25
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Justin Lemkul
-
2019/10/25
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Amit Jaiswal
-
2019/10/25
Re: [gmx-users] how to select head groups of lipid within 10 angstrom of protein
Justin Lemkul
-
2019/10/25
Re: [gmx-users] how to select head groups of lipid within 10 angstrom of protein
Peter Stern
-
2019/10/25
[gmx-users] Obtaining stress-strain curves: Parrinello-Rahman, anisotropic and deform
Nigel Hew
-
2019/10/25
[gmx-users] how to select head groups of lipid within 10 angstrom of protein
SHAHEE ISLAM
-
2019/10/24
Re: [gmx-users] QM/MM run tips or tutorials (Bogdanov, Vladimir)
Groenhof, Gerrit
-
2019/10/24
Re: [gmx-users] Average structure from trajectory
Edward Francisco Mendez Otalvaro
-
2019/10/24
[gmx-users] Average structure from trajectory
Jacek Artur Kozuch
-
2019/10/24
Re: [gmx-users] Define intermolecular interactions in L-J simulation
Li, Shi
-
2019/10/24
Re: [gmx-users] setting up osmotic gradient across bilayer.
Dallas Warren
-
2019/10/24
Re: [gmx-users] setting up osmotic gradient across bilayer.
Yogesh Sharma
-
2019/10/23
Re: [gmx-users] Define intermolecular interactions in L-J simulation
David van der Spoel
-
2019/10/23
[gmx-users] QM/MM run tips or tutorials
Bogdanov, Vladimir
-
2019/10/23
Re: [gmx-users] Define intermolecular interactions in L-J simulation
Justin Lemkul
-
2019/10/23
[gmx-users] Define intermolecular interactions in L-J simulation
Li, Shi
-
2019/10/23
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Justin Lemkul
-
2019/10/23
Re: [gmx-users] regression test errors
Dave M
-
2019/10/23
Re: [gmx-users] regression test errors
Paul bauer
-
2019/10/23
Re: [gmx-users] regression test errors
Dave M
-
2019/10/23
Re: [gmx-users] regression test errors
Paul bauer
-
2019/10/23
Re: [gmx-users] regression test errors
Dave M
-
2019/10/23
Re: [gmx-users] regression test errors
Paul Bauer
-
2019/10/23
Re: [gmx-users] regression test errors
Dave M
-
2019/10/23
Re: [gmx-users] regression test errors
Paul Bauer
-
2019/10/23
Re: [gmx-users] Solvation of protein on membrane surface
Olga Press
-
2019/10/22
Re: [gmx-users] regression test errors
Dave M
-
2019/10/22
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Jorden Cabal
-
2019/10/22
Re: [gmx-users] setting up osmotic gradient across bilayer.
Dallas Warren
-
2019/10/22
Re: [gmx-users] supercell
Dallas Warren
-
2019/10/22
[gmx-users] setting up osmotic gradient across bilayer.
Yogesh Sharma
-
2019/10/22
Re: [gmx-users] Fatal Error when launching gromacs 2019.2 on GPU.
Szilárd Páll
-
2019/10/22
[gmx-users] supercell
Alex
-
2019/10/22
Re: [gmx-users] GROMACS showing error
Szilárd Páll
-
2019/10/22
Re: [gmx-users] Fatal error: no domain decomposition
Patricia Saenz Méndez
-
2019/10/22
[gmx-users] Tabulate potential
Tam, Benjamin
-
2019/10/22
[gmx-users] surface energy for polymer boxes
Maria Luisa
-
2019/10/21
Re: [gmx-users] Frozen group moves!
Alex
-
2019/10/21
Re: [gmx-users] Frozen group moves!
David van der Spoel
-
2019/10/21
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Amit Jaiswal
-
2019/10/21
[gmx-users] Frozen group moves!
Alex
-
2019/10/21
Re: [gmx-users] Problem on pbc atom
Justin Lemkul
-
2019/10/21
Re: [gmx-users] Solvation of protein on membrane surface
Justin Lemkul
-
2019/10/21
Re: [gmx-users] Intermolecular Nonbonded Interactions
Justin Lemkul
-
2019/10/21
Re: [gmx-users] Question about default auto setting of mdrun -pin
aeszter
-
2019/10/21
[gmx-users] Intermolecular Nonbonded Interactions
Batuhan Kav
-
2019/10/20
[gmx-users] Advice for free energy perturbation calculations
Raphaël Robidas
-
2019/10/20
Re: [gmx-users] Hydrogens of ATB ligand show obvious vibration under all-bonds contraints?
Billy Williams-Noonan
-
2019/10/20
Re: [gmx-users] Hydrogens of ATB ligand show obvious vibration under all-bonds contraints?
Du, Yu
-
2019/10/20
Re: [gmx-users] Solvation of protein on membrane surface
Olga Press
-
2019/10/20
[gmx-users] regression test errors
Dave M
-
2019/10/19
Re: [gmx-users] Hydrogens of ATB ligand show obvious vibration under all-bonds contraints?
Billy Williams-Noonan
-
2019/10/19
[gmx-users] Problem on pbc atom
Mahsa Rezaei
-
2019/10/19
Re: [gmx-users] Fatal error: no domain decomposition
Justin Lemkul
-
2019/10/19
Re: [gmx-users] shift in trajectory
Justin Lemkul
-
2019/10/19
Re: [gmx-users] Calculation for PMF, Wham error
Justin Lemkul
-
2019/10/19
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Jorden Cabal
-
2019/10/19
[gmx-users] Changing the default cuda path
Mahmood Naderan
-
2019/10/18
Re: [gmx-users] Hydrogens of ATB ligand show obvious vibration under all-bonds contraints?
Du, Yu
-
2019/10/18
[gmx-users] Coarse-grained MD
Shan Jayasinghe
-
2019/10/18
Re: [gmx-users] Question about default auto setting of mdrun -pin
Szilárd Páll
-
2019/10/18
[gmx-users] Question about default auto setting of mdrun -pin
aeszter
-
2019/10/18
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Amit Jaiswal
-
2019/10/18
[gmx-users] Fatal error: no domain decomposition
Patricia Saenz Méndez
-
2019/10/18
Re: [gmx-users] shift in trajectory
Amin Rouy
-
2019/10/17
Re: [gmx-users] Hydrogens of ATB ligand show obvious vibration under all-bonds contraints?
Du, Yu
-
2019/10/17
[gmx-users] Calculation for PMF, Wham error
Rabeta Yeasmin
-
2019/10/17
Re: [gmx-users] Hydrogens of ATB ligand show obvious vibration under all-bonds contraints?
Justin Lemkul
-
2019/10/17
Re: [gmx-users] shift in trajectory
Justin Lemkul
-
2019/10/17
Re: [gmx-users] distance analysis error
Mario Andres Rodriguez Pineda
-
2019/10/17
[gmx-users] Hydrogens of ATB ligand show obvious vibration under all-bonds contraints?
Du, Yu
-
2019/10/17
[gmx-users] Fatal Error when launching gromacs 2019.2 on GPU.
Artem Shekhovtsov
-
2019/10/17
Re: [gmx-users] Normal Mode Analysis
Adip Jhaveri
-
2019/10/17
Re: [gmx-users] shift in trajectory
Amin Rouy
-
2019/10/17
[gmx-users] Question about default auto setting of mdrun -pin
Kutzner, Carsten
-
2019/10/17
Re: [gmx-users] shift in trajectory
Justin Lemkul
-
2019/10/17
Re: [gmx-users] shift in trajectory
Amin Rouy
-
2019/10/17
Re: [gmx-users] Normal Mode Analysis
David van der Spoel
-
2019/10/16
Re: [gmx-users] distance analysis error
Dallas Warren
-
2019/10/16
[gmx-users] distance analysis error
Mario Andres Rodriguez Pineda
-
2019/10/16
[gmx-users] Normal Mode Analysis
Adip Jhaveri
-
2019/10/16
Re: [gmx-users] shift in trajectory
Justin Lemkul
-
2019/10/16
Re: [gmx-users] shift in trajectory
Patel, Lara Anne
-
2019/10/16
Re: [gmx-users] shift in trajectory
Justin Lemkul
-
2019/10/16
Re: [gmx-users] shift in trajectory
Patel, Lara Anne
-
2019/10/16
[gmx-users] shift in trajectory
Amin Rouy
-
2019/10/16
Re: [gmx-users] Help with a failing test - gromacs 2019.4 - Test 42
Szilárd Páll
-
2019/10/16
Re: [gmx-users] [Performance] poor performance with NV V100
Szilárd Páll
-
2019/10/15
Re: [gmx-users] Implementing Hamiltonian replica exchange simulations
Michael Shirts
-
2019/10/15
Re: [gmx-users] Implementing Hamiltonian replica exchange simulations
Searle Duay
-
2019/10/15
Re: [gmx-users] Implementing Hamiltonian replica exchange simulations
Matthew Fisher
-
2019/10/15
Re: [gmx-users] Implementing Hamiltonian replica exchange simulations
Searle Duay
-
2019/10/15
Re: [gmx-users] Implementing Hamiltonian replica exchange simulations
Justin Lemkul
-
2019/10/15
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Justin Lemkul
-
2019/10/14
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
ISHRAT JAHAN
-
2019/10/14
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Jorden Cabal
-
2019/10/14
[gmx-users] Implementing Hamiltonian replica exchange simulations
Searle Duay
-
2019/10/14
Re: [gmx-users] Question about gmx_wham
Alexander Phillips
-
2019/10/14
Re: [gmx-users] Concentration gradient across bilayer
Nikhil Maroli
-
2019/10/14
Re: [gmx-users] Question about gmx_wham
John Whittaker
-
2019/10/14
[gmx-users] Question about gmx_wham
Alexander Phillips
-
2019/10/14
[gmx-users] Concentration gradient across bilayer
Yogesh Sharma
-
2019/10/13
Re: [gmx-users] Error in cgenff
Justin Lemkul
-
2019/10/13
[gmx-users] Error in cgenff
Suprim Tha
-
2019/10/12
Re: [gmx-users] simulating glass materials using GROMACS
paul buscemi
-
2019/10/12
[gmx-users] simulating glass materials using GROMACS
Alex Mathew
-
2019/10/12
Re: [gmx-users] Solid surface simulation and PBC issues
Benson Muite
-
2019/10/11
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Amit Jaiswal
-
2019/10/11
[gmx-users] Solid surface simulation and PBC issues
Samuel Asante Afari
-
2019/10/11
Re: [gmx-users] Gromacs tutorial
Justin Lemkul
-
2019/10/11
Re: [gmx-users] Gromacs tutorial
Suprim Tha
-
2019/10/11
Re: [gmx-users] Error running gromacs tutorial
Suprim Tha
-
2019/10/11
Re: [gmx-users] Gromacs tutorial
Suprim Tha
-
2019/10/11
Re: [gmx-users] Gromacs tutorial
Suprim Tha
-
2019/10/11
Re: [gmx-users] Error running gromacs tutorial
wangyue2...@lzu.edu.cn
-
2019/10/11
Re: [gmx-users] Gromacs tutorial
Justin Lemkul
-
2019/10/11
Re: [gmx-users] Gromacs tutorial
Suprim Tha
-
2019/10/11
Re: [gmx-users] Gromacs tutorial
Nidhi singh
-
2019/10/11
Re: [gmx-users] Gromacs tutorial
Justin Lemkul
-
2019/10/11
[gmx-users] Gromacs tutorial
Suprim Tha
-
2019/10/11
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Jorden Cabal
-
2019/10/10
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Amit Jaiswal
-
2019/10/10
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Amit Jaiswal
-
2019/10/10
[gmx-users] Help with a failing test - gromacs 2019.4 - Test 42
Raymond Arter
-
2019/10/10
[gmx-users] Help with pull code for umbrella pulling
Slabbert, B, Mr [bslabb...@sun.ac.za]
-
2019/10/10
Re: [gmx-users] Error running gromacs tutorial
antonia vyrkou
-
2019/10/10
[gmx-users] Error running gromacs tutorial
Suprim Tha
-
2019/10/10
Re: [gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Jorden Cabal
-
2019/10/10
Re: [gmx-users] how to calculate average structure
Subhomoi Borkotoky
-
2019/10/09
Re: [gmx-users] how to cluster protein conformations obtained from different trajectories?
rajat punia
-
2019/10/09
[gmx-users] Reg: Zinc ion gets displaced during Protein-Zn-Ligand simulation
Amit Jaiswal
-
2019/10/09
Re: [gmx-users] "Re: Shape of the aggregate (Dallas Warren)"
Dallas Warren
-
2019/10/09
Re: [gmx-users] cpt file
Justin Lemkul
-
2019/10/09
[gmx-users] cpt file
Alex
-
2019/10/09
[gmx-users] Understanding the gmx dipoles and gmx dielectric GROMACS functionality
Patel, Lara Anne
-
2019/10/09
Re: [gmx-users] how to cluster protein conformations obtained from different trajectories?
Justin Lemkul
-
2019/10/09
Re: [gmx-users] "Re: Shape of the aggregate (Dallas Warren)"
Aishwarya Dhar
-
2019/10/09
[gmx-users] "Re: Shape of the aggregate (Dallas Warren)"
Aishwarya Dhar
-
2019/10/09
[gmx-users] how to cluster protein conformations obtained from different trajectories?
rajat punia
-
2019/10/08
Re: [gmx-users] Need help with installation of Gromacs-2019.3 with Intell compilers
Lyudmyla Dorosh
-
2019/10/08
Re: [gmx-users] �ظ�: �ظ�: Re: Implicit Solvent and Box Size
John Whittaker
-
2019/10/08
[gmx-users] 回复: 回复: Re: Implicit Solvent and Box Size
Zhang Zhuo
-
2019/10/08
[gmx-users] INFLATEGRO SHRINKING SCRIPT ERROR
Yogesh Sharma
-
2019/10/08
Re: [gmx-users] [Performance] poor performance with NV V100
Szilárd Páll
-
2019/10/08
Re: [gmx-users] ERROR :: Atomtype LC3 not found : KALP-15 in water tutorial
Justin Lemkul
-
2019/10/08
[gmx-users] ERROR :: Atomtype LC3 not found : KALP-15 in water tutorial
Seketoulie Keretsu
-
2019/10/08
Re: [gmx-users] 回复: Re: Implicit Solvent and Box Size
Justin Lemkul
-
2019/10/08
Re: [gmx-users] Protein ligand simulation topology
Justin Lemkul
-
2019/10/08
[gmx-users] Protein ligand simulation topology
DEEPANSHU SINGLA
-
2019/10/08
Re: [gmx-users] Need help with installation of Gromacs-2019.3 with Intell compilers
Paul bauer
-
2019/10/07
[gmx-users] 回复: Re: Implicit Solvent and Box Size
张 卓
-
2019/10/07
Re: [gmx-users] Shape of the aggregate
Dallas Warren
-
2019/10/07
Re: [gmx-users] Solvation of protein on membrane surface .JPG
Dallas Warren
-
2019/10/07
[gmx-users] Need help with installation of Gromacs-2019.3 with Intell compilers
Lyudmyla Dorosh
-
2019/10/07
Re: [gmx-users] Implicit Solvent and Box Size
zhangzhu...@hotmail.com
-
2019/10/07
Re: [gmx-users] Solvation of protein on membrane surface
Justin Lemkul
-
2019/10/07
Re: [gmx-users] Implicit Solvent and Box Size
Justin Lemkul
-
2019/10/07
[gmx-users] Shape of the aggregate
Aishwarya Dhar
-
2019/10/07
Re: [gmx-users] Implicit Solvent and Box Size
zhangzhu...@hotmail.com
-
2019/10/07
[gmx-users] Implicit Solvent and Box Size
张 卓
-
2019/10/07
Re: [gmx-users] Implicit Solvent and Box Size
Paul bauer
-
2019/10/07
[gmx-users] Implicit Solvent and Box Size
张 卓
-
2019/10/07
Re: [gmx-users] Gromacs2019 + Gaussian09 QMMM (nikol...@spbau.ru)
Groenhof, Gerrit
-
2019/10/07
[gmx-users] Solvation of protein on membrane surface
Olga Press
-
2019/10/07
Re: [gmx-users] Simulation of membrane associated protein
Olga Press
-
2019/10/07
[gmx-users] Solvation of protein on membrane surface .JPG
Olga Press (via Google Drive)
-
2019/10/06
Re: [gmx-users] how to calculate average structure
mmousivand93
-
2019/10/06
[gmx-users] [Performance] poor performance with NV V100
Jimmy Chen
-
2019/10/06
[gmx-users] How to perform a lipid bilayer MD simulation in Gromacs with mechanical stress?
laura pulido
-
2019/10/06
[gmx-users] Solvation free energy and standard states
Wang Ruixing
-
2019/10/06
Re: [gmx-users] Pro-Lig Error
Najamuddin Memon
-
2019/10/06
[gmx-users] Pro-Lig Error
Iman Katouzian
-
2019/10/06
[gmx-users] Protein ligand simulation
DEEPANSHU SINGLA
-
2019/10/06
Re: [gmx-users] water deletor script error
Justin Lemkul
-
2019/10/06
[gmx-users] water deletor script error
Ayesha Fatima
-
2019/10/06
Re: [gmx-users] Cellulose topology file
Justin Lemkul
-
2019/10/06
[gmx-users] Cellulose topology file
Iman Katouzian
-
2019/10/06
[gmx-users] Cellulose topology file
Iman Katouzian
-
2019/10/06
Re: [gmx-users] warnings about tip3
Justin Lemkul
-
2019/10/06
[gmx-users] warnings about tip3
Ayesha Fatima
-
2019/10/05
Re: [gmx-users] RMSD analysis of protein-ligand complex
Quin K