RE: [gmx-users] .mdp file for polymer

2009-02-16 Thread Berk Hess
Hi, You should be much more precise in describing your problems. gmxdump does not seem to give a segv at all. Also you did not mail me your Gromacs version. mdrun immediately gives a warning: Warning: 1-4 interaction between 1 and 28 at distance 0.982 which is larger than the 1-4 table size 0.5

RE: [gmx-users] .mdp file for polymer

2009-02-16 Thread Berk Hess
Hi, Independent of any other problems you might have, gmxdump should never give a segmentation fault. Could you mail me the tpr file? Which version of Gromacs are you using? Berk Date: Mon, 16 Feb 2009 12:57:50 +0400 From: varsha.gautha...@gmail.com To: gmx-users@gromacs.org Subject: [gmx-use

Re: [gmx-users] .mdp file for polymer

2009-02-16 Thread Mark Abraham
varsha gautham wrote: Hello sir, On giving gmxdump its giving me an error saying "segmentation fault. 99.9% of the time there is more information available. Check your stdout, stderr and the .log file. My box size is 6x6X6.Am trying to run it it vaccum for 250 ps wit 5 timesteps and w

Re: [gmx-users] .mdp file for polymer

2009-02-13 Thread Mark Abraham
varsha gautham wrote: hello sir, I made nstvout and nstfout parameters to zero and frequency to update position coordinates alone (nstxout) to 1000.But still am getting only one frame when viewed the trajectory in VMD. Just like some other trajectory formats, you do have to open a structu