Re: [gmx-users] configuration does not change in minim ization trajectory

2009-05-04 Thread heiko252
> >> heiko...@web.de wrote: > >>> Hello all, > >>> > >>> I am doing a cg minimization with Gromacs-4.0.3. > >>> It is compiled on a Linux system with gcc 3.4.6 > >>> > >>> All frames in the trajectory are identical to the starting configuration, > >>> except for the final one, which is clearly diff

Re: [gmx-users] configuration does not change in minim ization trajectory

2009-05-01 Thread heiko252
> -Ursprüngliche Nachricht- > Von: "Justin A. Lemkul" > Gesendet: 01.05.09 03:10:01 > An: Discussion list for GROMACS users > Betreff: Re: [gmx-users] configuration does not change in minimization > trajectory > > > heiko...@web.de wrote: > > Hello all, > > > > I am doing a cg minim

[gmx-users] configuration does not change in minimization trajectory

2009-04-30 Thread heiko252
Hello all, I am doing a cg minimization with Gromacs-4.0.3. It is compiled on a Linux system with gcc 3.4.6 All frames in the trajectory are identical to the starting configuration, except for the final one, which is clearly different. I get the expected number of frames in the trajectory (.trr)