VMD-L Mailing List

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Tue Feb 21 2017 - 11:23:33 CST

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.

-Josh

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 

--
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