Re: [gmx-users] Normal Mode Analysis -- Expected Output

2013-04-12 Thread Bryan Roessler
My problem was here: >nsteps = 10 which should read nsteps = 1 I was under the assumption that the step numbers would correspond to the number of calculated eigenvectors. All eigenvectors are calculated in step 1. Thanks, Bryan On Thu, Apr 11, 2013 at 12:33 PM, David van der Spoel wrote

Re: [gmx-users] Normal Mode Analysis -- Expected Output

2013-04-11 Thread David van der Spoel
On 2013-04-11 17:57, Bryan Roessler wrote: Hello, I am running a normal mode analysis on a ~1500AA protein with the following mdp parameters: Log file opened on Tue Apr 9 09:55:00 2013 Host: uv1 pid: 128985 nodeid: 0 nnodes: 64 Gromacs version:VERSION 4.6.1 Precision: double M

[gmx-users] Normal Mode Analysis -- Expected Output

2013-04-11 Thread Bryan Roessler
Hello, I am running a normal mode analysis on a ~1500AA protein with the following mdp parameters: Log file opened on Tue Apr 9 09:55:00 2013 Host: uv1 pid: 128985 nodeid: 0 nnodes: 64 Gromacs version:VERSION 4.6.1 Precision: double Memory model: 64 bit MPI library: