Re: [gmx-users] g_cluster: optimal cutoff

2010-11-05 Thread Xiaohu Hu
Hi, I am also trying to do clustering analysis, but g_cluster version 4.5.1 seems to have a bug. it does not crash but show strange std output like # RMSD calculations left: -897758633 and the stopps after some time. Which version do you guys use? Best, Xiaohu On 11/05/2010 06:57 AM, Fab

[gmx-users] A bug in gromacs tool 4.5

2010-08-09 Thread Xiaohu Hu
Hi all, I think the gromacs tools 4.5 may have a bug. So far I experienced that several tools trjconv, g_rms, grmsf, g_covar, g_anaeig crash with a segmentation fault if the trajectory read in does not have the same atom number as the atom number in the .tpr file. It seems to be a systematic