[gmx-users] gmx dos - Possible bug on 5.0.6

2015-08-25 Thread Marcelo Depólo
Hi all! I've been running gmx dos (version 5.0.4) in some trajectories with the following: echo BEN | gmx_504 dos -s ben.DOS.tpr -f ben.DOS.trr -g ben.log -dos dos.xvg -vacf vacf.xvg -mvacf mvacf.xvg and it runs just fine. But when I run the same line with 5.0.6, I get:

Re: [gmx-users] gmx dos - Possible bug on 5.0.6

2015-08-25 Thread David van der Spoel
On 25/08/15 18:24, Marcelo Depólo wrote: Hi all! I've been running gmx dos (version 5.0.4) in some trajectories with the following: echo BEN | gmx_504 dos -s ben.DOS.tpr -f ben.DOS.trr -g ben.log -dos dos.xvg -vacf vacf.xvg -mvacf mvacf.xvg and it runs just fine. But when I run the same line

Re: [gmx-users] gmx dos - Possible bug on 5.0.6

2015-08-25 Thread Marcelo Depólo
2015-08-25 17:29 GMT-03:00 David van der Spoel sp...@xray.bmc.uu.se: On 25/08/15 18:24, Marcelo Depólo wrote: Hi all! I've been running gmx dos (version 5.0.4) in some trajectories with the following: echo BEN | gmx_504 dos -s ben.DOS.tpr -f ben.DOS.trr -g ben.log -dos dos.xvg -vacf

Re: [gmx-users] gmx dos - Possible bug on 5.0.6

2015-08-25 Thread Justin Lemkul
On 8/25/15 5:03 PM, Marcelo Depólo wrote: 2015-08-25 17:29 GMT-03:00 David van der Spoel sp...@xray.bmc.uu.se: On 25/08/15 18:24, Marcelo Depólo wrote: Hi all! I've been running gmx dos (version 5.0.4) in some trajectories with the following: echo BEN | gmx_504 dos -s ben.DOS.tpr -f