[gmx-users] query on plotting dynamical quantity
tsjerkw at gmail.com
Tue Mar 8 08:13:19 CET 2016
Convert the file to PDB format and write the values to the b-factor field.
Most visualization programs can color by b-value.
On Mar 8, 2016 06:50, "Jagannath Mondal" <jmondal.backup at gmail.com> wrote:
> Dear gromacs-users
> I am sorry to write you a visualization-related query. I hope you can
> My query is: How can I visualize a trajectory file ( example in vmd) where
> I have an extra 4th column ( apart from x y z which are first 3 columns)
> which has a dynamically changing variable for each particles ? The plan is
> to color gradient the atoms using the values of 4th column.
> Is there a way to do it. I am sorry again to write you off the list.
> Here is an excerpt from first few lines:
> 219GLN C 18 6.961000 4.468000 3.776000 1.678980
> 220LEU C 37 6.753000 4.257000 3.980000 6.526284
> 221THR C 51 6.618000 4.023000 4.151000 11.323132
> 222ALA C 61 6.565000 3.742000 4.306000 26.957896
> 223ALA C 71 6.409000 3.464000 4.313000 52.708403
> 224GLN C 88 6.213000 3.540000 4.528000
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users