[gmx-users] how to change the timestamp of a xtc file
Peter C. Lai
pcl at uab.edu
Thu Apr 5 15:02:31 CEST 2012
On 2012-04-05 06:18:34PM +0800, lina wrote:
> On Thu, Apr 5, 2012 at 6:07 PM, Mark Abraham <mark.abraham at anu.edu.au> wrote:
> > On 05/04/12, lina <lina.lastname at gmail.com> wrote:
> > On Thu, Apr 5, 2012 at 4:42 PM, Peter C. Lai <pcl at uab.edu> wrote:
> >> trjcat -settime or trjconv -t0
> > Thank you, a further question, a trjcat-ed xtc file, which timestamp like
> > 0-5 0-2 0-5 0-3 ...
> > Are there someway to update them all in the trjcated ones?
> > I've no idea what you mean, but trjconv -settime is still your friend.
> sorry I didn't say it clearly.
> Well, I mean several xtc files
> all starts with 0
> but ends with 1 ns, 2 ns, 1 ns
> I use trjcat -cat combine them together. now I wonder can make the
> time continuously.
> from 0 to 4ns.
use trjcat or trjconv -settime on each individual xtc file to generate the
correct starting times for each, then trjcat the corrected trajectories.
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