[gmx-users] Analysis

SOUVIK MONDAL m.souvik at iitkgp.ac.in
Fri May 20 15:27:51 CEST 2016


I have converted dcd to xtc file and calculated rmsd. But in the output file the x coloumn (time) comes out be 0.0 all the time. How can I get proper time output?

----- Original Message -----
From: jkrieger at mrc-lmb.cam.ac.uk
To: gmx-users at gromacs.org
Sent: Friday, May 20, 2016 4:39:14 PM
Subject: Re: [gmx-users] Analysis

Hi,

If you can't save a GROMACS compatible xtc from vmd then I suggest using
the mdconvert tool from mdtraj. It can convert between most commonly used
md trajectory formats and have used it for both CHARMM dcd to
GROMACS-compatible xtc and GROMACS xtc to a dcd that is readable by ProDy
with no problems.

Best wishes
James

> Hi,
>
> How to analyze in gromacs 4.5.7 from the  dcd file? I have vmd installed
> in my computer.
>
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