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
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
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
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
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