Re: [gmx-users] Re: eigenvectors in readable format

2010-10-21 Thread Ramachandran G
In selecting the eigen vector i just want to make sure about my consideration about the time frames. Should i need to consider the time frame t= 0.0 or i need to start at non zero positive numbers? Thank you. Rama On Fri, Oct 15, 2010 at 11:00 PM, Tsjerk Wassenaar wrote: > Hi Rama, > > You can co

Re: [gmx-users] Re: eigenvectors in readable format

2010-10-16 Thread Ramachandran G
Hi Tsjerk, Thank you very much for your help. Cheers! Rama On Fri, Oct 15, 2010 at 11:00 PM, Tsjerk Wassenaar wrote: > Hi Rama, > > You can convert the .trr file to readable .gro/.g96 with trjconv. > Frames with positive times will correspond to eigenvectors; the time > indicates the eigenv

Re: [gmx-users] Re: eigenvectors in readable format

2010-10-15 Thread Tsjerk Wassenaar
Hi Rama, You can convert the .trr file to readable .gro/.g96 with trjconv. Frames with positive times will correspond to eigenvectors; the time indicates the eigenvector index. Make sure not to use any options like pbc/fitting :p Cheers, Tsjerk On Sat, Oct 16, 2010 at 7:00 AM, Ramachandran G w

[gmx-users] Re: eigenvectors in readable format

2010-10-15 Thread Ramachandran G
Hi, Can anyone help to get the eigen vector in ascii format. I have with me the trajectory file 'eigenvec.trr'. On using g_covar_d, i got the the ascii format file 'covar.dat' and it has covariance matrix of 3(NxN) number. But i am not interested in that. I am interested in getting the ascii(rea