VMD-L Mailing List
From: Stefano Guglielmo (stefano.guglielmo_at_unito.it)
Date: Tue Feb 21 2017 - 15:36:03 CST
that was the trick, it works.
2017-02-21 18:23 GMT+01:00 Vermaas, Joshua <Joshua.Vermaas_at_nrel.gov>:
> Did you add a flag specifying that the output isn't a DCD? Catdcd isn't
> explicit about this, but if you don't specify the -otype option, it assumes
> dcd, regardless of the file extension you specify. You can check this by
> forcing VMD to load your trr as a dcd, and it will probably load just fine.
> On 02/20/2017 07:17 PM, Stefano Guglielmo wrote:
> Dear vmd users,
> I generated a trr file from a dcd file using catdcd in vmd 1.9.3 on a
> centOS 7 machine, and, though catdcd does not complain, the trajectory
> generated seems to be not readable as vmd is not able to load it; if I am
> not wrong there was an updated plugin for gromacs in vmd 1.9.2, will it
> work for 1.9.3 as well or is there something else I am missing?
> Thanks in advance
> Stefano GUGLIELMO PhD
> Assistant Professor of Medicinal Chemistry
> Department of Drug Science and Technology
> Via P. Giuria 9
> 10125 Turin, ITALY
> ph. +39 (0)11 6707678
-- Stefano GUGLIELMO PhD Assistant Professor of Medicinal Chemistry Department of Drug Science and Technology Via P. Giuria 9 10125 Turin, ITALY ph. +39 (0)11 6707678