Re: [gmx-users] rerun on gro file

2010-09-18 Thread Justin A. Lemkul
to re-create a real .xtc trajectory, right? -Justin Fahimeh --- On *Sat, 9/18/10, Justin A. Lemkul //* wrote: From: Justin A. Lemkul Subject: Re: [gmx-users] rerun on gro file To: "Discussion list for GROMACS users" Date: Saturday, September 18, 2010, 10:51

Re: [gmx-users] rerun on gro file

2010-09-18 Thread fahimeh baftizadeh
think is this the problem ?!! Fahimeh --- On Sat, 9/18/10, Justin A. Lemkul wrote: From: Justin A. Lemkul Subject: Re: [gmx-users] rerun on gro file To: "Discussion list for GROMACS users" Date: Saturday, September 18, 2010, 10:51 PM fahimeh baftizadeh wrote: > Hi, > &g

Re: [gmx-users] rerun on gro file

2010-09-18 Thread Justin A. Lemkul
fahimeh baftizadeh wrote: Hi, I'm trying to do rerun on a trajectory which came from catting some gro files of a metadynamics simulation. I simply did trjcat -f 1.gro 2.gro 3.gro -o all.xtc -cat then I used this all.xtc for rerun. the output COLVAR is written but only for one step, I did te

[gmx-users] rerun on gro file

2010-09-18 Thread fahimeh baftizadeh
Hi, I'm trying to do rerun on a trajectory which came from catting some gro files of a metadynamics simulation. I simply did trjcat -f 1.gro 2.gro 3.gro -o all.xtc -cat then I used this all.xtc for rerun. the output COLVAR is written but only for one step, I did test on some other trajectory