RE: [gmx-users] nan in g_anaeig -over

2012-07-27 Thread Joaquim Rui de Castro Rodrigues
2012 16:48 Para: Discussion list for GROMACS users Assunto: Re: [gmx-users] nan in g_anaeig -over On 27/07/2012 12:31 AM, Joaquim Rui de Castro Rodrigues wrote: > Dear all, > > I am getting a nan while calculating the overlap between covariance matrices > (in this case, using the same vectors for

Re: [gmx-users] nan in g_anaeig -over

2012-07-26 Thread Mark Abraham
On 27/07/2012 12:31 AM, Joaquim Rui de Castro Rodrigues wrote: Dear all, I am getting a nan while calculating the overlap between covariance matrices (in this case, using the same vectors for -v and -v2): g_anaeig455 -v atp/eigenvectors.trr -v2 atp/eigenvectors.trr -over overlap_atp-atp I

[gmx-users] nan in g_anaeig -over

2012-07-26 Thread Joaquim Rui de Castro Rodrigues
Dear all, I am getting a nan while calculating the overlap between covariance matrices (in this case, using the same vectors for -v and -v2): g_anaeig455 -v atp/eigenvectors.trr -v2 atp/eigenvectors.trr -over overlap_atp-atp I tried different gromacs versions, different -last values, and als