Re: [gmx-users] Re: Segmentation Fault using g_cluster

2013-09-06 Thread Tsjerk Wassenaar
Hi Evelyne, I haven't got a clue... But does it work if you use -settime when concatenating the trajectories, to avoid having frames with the same time index? It shouldn't cause a segfault, but it might. Cheers, Tsjerk On Fri, Sep 6, 2013 at 7:20 AM, deplazes e.depla...@uq.edu.au wrote: Hi

[gmx-users] Re: Segmentation Fault using g_cluster

2013-09-06 Thread deplazes
You're a genious. It works! Thanks a lot From: Tsjerk Wassenaar [via GROMACS] ml-node+s5086n5011009...@n6.nabble.commailto:ml-node+s5086n5011009...@n6.nabble.com Date: Fri, 6 Sep 2013 02:12:25 -0700 To: Evelyne Deplazes e.depla...@uq.edu.aumailto:e.depla...@uq.edu.au Subject: Re: Segmentation

[gmx-users] Re: Segmentation Fault using g_cluster

2013-09-06 Thread deplazes
You also need to make a new index file that corresponds to the new , reduced .tpr file Cheers E Enjoy Ausserberg From: Tsjerk Wassenaar [via GROMACS] ml-node+s5086n5011009...@n6.nabble.commailto:ml-node+s5086n5011009...@n6.nabble.com Date: Fri, 6 Sep 2013 02:12:25 -0700 To: Evelyne Deplazes

Re: [gmx-users] Re: Segmentation Fault using g_cluster

2013-09-06 Thread Tsjerk Wassenaar
Hi Evelyne, So I was reading carelessly... I didn't notice you used an index file with trjcat. If you later try to use the same index file, that may indeed cause a segfault. Good that it works now. Cheers, Tsjerk On Fri, Sep 6, 2013 at 12:29 PM, deplazes e.depla...@uq.edu.au wrote: You also

[gmx-users] Re: Segmentation Fault using g_cluster

2013-09-05 Thread deplazes
Hi guys do you have an idea what is causing the segmentation fault with g_cluster? I do the following 1 . I combine trr files from different simulations using trjcat and select backbone atoms only trjcat -f ../../*C/runs/*/*trr -cat -n index.ndx -o trajout_combined.xtc 2. I make a new

[gmx-users] Re: Segmentation Fault using g_cluster

2013-09-05 Thread deplazes
Hi guys do you have an idea what is causing the segmentation fault with g_cluster? I do the following 1 . I combine trr files from different simulations using trjcat and select backbone atoms only trjcat -f ../../*C/runs/*/*trr -cat -n index.ndx -o trajout_combined.xtc 2. I make a new

[gmx-users] Re: Segmentation Fault using g_cluster

2013-09-05 Thread deplazes
Hi guys do you have an idea what is causing the segmentation fault with g_cluster? I do the following 1 . I combine trr files from different simulations using trjcat and select backbone atoms only trjcat -f ../../*C/runs/*/*trr -cat -n index.ndx -o trajout_combined.xtc 2. I make a new

[gmx-users] Re: Segmentation Fault using g_cluster

2013-09-05 Thread deplazes
Hi guys do you have an idea what is causing the segmentation fault with g_cluster? I do the following 1 . I combine trr files from different simulations using trjcat and select backbone atoms only trjcat -f ../../*C/runs/*/*trr -cat -n index.ndx -o trajout_combined.xtc 2. I make a new