file with a awk
script for example...
On 15 Dec 2016, at 15:11, Justin Lemkul
mailto:jalem...@vt.edu>> wrote:
On 12/15/16 10:02 AM, Romero, Raquel wrote:
Thanks a lot for your reply, Justin. That’s exactly what want but my problem is
that don’t know how, I mean, how can I kno
Thanks a lot for your reply, Justin. That’s exactly what want but my problem is
that don’t know how, I mean, how can I know that correspondence? Getting that
correspondence is my only problem
> On 14 Dec 2016, at 12:49, Justin Lemkul wrote:
>
>
>
> On 12/12/16 9:30 AM,
Hi everyone,
I have a number of trajectories over which I have conducted PCA using Gromacs.
I have also generated a Free Energy Landscape using g_sham when the trajectory
is projected along the PCs. I would like to know how I can extract the
coordinates of those states of minimum energy show
Hi everyone,
I have a number of trajectories over which I have conducted PCA using Gromacs.
I have also generated a Free Energy Landscape using g_sham when the trajectory
is projected along the PCs. I would like to know how I can extract the
coordinates of those states of minimum energy shown