Re: [gmx-users] how to use demux.pl for REMD analysis

2007-05-09 Thread David van der Spoel
Mark Abraham wrote: N-J.M. Macaluso wrote: Hello, I've been reading all of the archived questions on the analysis of REMD in Gromacs, and I'm still a bit confused. It appears that the first step is to use the demux.pl script to demultiplex the REMD trajectories. How to use this script, a

Re: [gmx-users] how to use demux.pl for REMD analysis

2007-05-09 Thread Mark Abraham
N-J.M. Macaluso wrote: Hello, I've been reading all of the archived questions on the analysis of REMD in Gromacs, and I'm still a bit confused. It appears that the first step is to use the demux.pl script to demultiplex the REMD trajectories. How to use this script, and what exactly this

[gmx-users] how to use demux.pl for REMD analysis

2007-05-09 Thread N-J.M. Macaluso
Hello, I've been reading all of the archived questions on the analysis of REMD in Gromacs, and I'm still a bit confused. It appears that the first step is to use the demux.pl script to demultiplex the REMD trajectories. How to use this script, and what exactly this is supposed to accomplis