RE: [gmx-users] -append on jugene overwrites trr

Hi, I don't know if you know eneconv and trjcat, these programs can merge your output. So you can still do all your analysis. Berk > Date: Wed, 29 Jul 2009 23:48:36 +1000 > From: mark.abra...@anu.edu.au > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] -append on juge

Re: [gmx-users] -append on jugene overwrites trr

Dr. Leonid Yelash wrote: Hello all together, in my compilation of Gromacs 4.0.5 on JUGENE (a Blue Gene/P machine in Jülich), the -append option does not work properly. Possibly that's intrinsic to the way I/O is handled on BlueGene. It should be simple to create a test program that tries to a

[gmx-users] -append on jugene overwrites trr

Hello all together, in my compilation of Gromacs 4.0.5 on JUGENE (a Blue Gene/P machine in Jülich), the -append option does not work properly. When i restart a simulation from a checkpoint, the mdrun recognizes the checkpoint and -append (one can see it in md.log), but instead of appending to md.l