[gmx-users] why files are so large?

2013-04-28 Thread Albert
Hello: I am using the following settings for output file: dt = 0.002 ; Time-step (ps) nsteps = 25; Number of steps to run (0.002 * 50 = 1 ns) ; Parameters controlling output writing nstxout = 500 ; Write coordinates to

Re: [gmx-users] why files are so large?

2013-04-28 Thread Justin Lemkul
On 4/28/13 8:04 AM, Albert wrote: Hello: I am using the following settings for output file: dt = 0.002 ; Time-step (ps) nsteps = 25; Number of steps to run (0.002 * 50 = 1 ns) ; Parameters controlling output writing nstxout = 500

Re: [gmx-users] why files are so large?

2013-04-28 Thread Albert
On 04/28/2013 02:08 PM, Justin Lemkul wrote: This looks like a pretty clear bug to me, especially the negative file size, which cannot possibly make sense. What version of Gromacs is this? -Justin hi Justin: thanks a lot for kind comments. I am using the latest 4.6.1 with GPU production.

Re: [gmx-users] why files are so large?

2013-04-28 Thread Justin Lemkul
On 4/28/13 8:09 AM, Albert wrote: On 04/28/2013 02:08 PM, Justin Lemkul wrote: This looks like a pretty clear bug to me, especially the negative file size, which cannot possibly make sense. What version of Gromacs is this? -Justin hi Justin: thanks a lot for kind comments. I am using