Re: [gmx-users] Combining position restraints with Parrinello-Rahman pressure coupling leads to instabilities

On 8/21/18 2:32 AM, Naba wrote: Dear Dr. Justin, Thanks a lot for suggestions and hints. I issued: gmx dump -s npt.tpr to check the velocities. Following are last few lines after execution of the above command: v[120488]={-8.24012e-01, -3.10189e-01, 3.53090e-01}

[gmx-users] Combining position restraints with Parrinello-Rahman pressure coupling leads to instabilities

Dear Dr. Justin, Thanks a lot for suggestions and hints. I issued: gmx dump -s npt.tpr to check the velocities. Following are last few lines after execution of the above command: v[120488]={-8.24012e-01, -3.10189e-01, 3.53090e-01} v[120489]={-5.70083e-02, 6.79958e-01, 1.43155e+00}

Re: [gmx-users] Combining position restraints with Parrinello-Rahman pressure coupling leads to instabilities

On 8/20/18 6:52 AM, Naba wrote: Dear Gromacs users and developers, I am using Gromacs 2018.2. Following the membrane protein simulation tutorial, I am planning to run long simulations of a tetramer that needs larger lipid bilayer than 128 lipids as described in the tutorial. So, I have

[gmx-users] Combining position restraints with Parrinello-Rahman pressure coupling leads to instabilities

Dear Gromacs users and developers, I am using Gromacs 2018.2. Following the membrane protein simulation tutorial, I am planning to run long simulations of a tetramer that needs larger lipid bilayer than 128 lipids as described in the tutorial. So, I have replicated the pre-equilibrated POPC