[gmx-users] how to change the timestamp of a xtc file

Mark Abraham mark.abraham at anu.edu.au
Thu Apr 5 12:33:46 CEST 2012


 
 
On 05/04/12, lina <lina.lastname at gmail.com> 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.

 
Read the -h output for trjconv and trjcat and choose wisely.
 
Mark 

> 
> 
> 
> Thanks,
> 
> 
> >
> > Mark
> >
> >
> >
> >
> > Thanks ahead,
> >
> >>
> >> On 2012-04-05 03:59:44PM +0800, lina wrote:
> >>> Hi,
> >>>
> >>> A quick question, how can I change the .xtc file which beginning at 0,
> >>> end at 1 ns to beginning at 5ns and end at 6ns.
> >>>
> >>> Thanks for any suggestions,
> >>>
> >>> Best regards,
> >>> --
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> >> --
> >> ==================================================================
> >> Peter C. Lai                    | University of Alabama-Birmingham
> >> Programmer/Analyst              | KAUL 752A
> >> Genetics, Div. of Research      | 705 South 20th Street
> >> pcl at uab.edu                     | Birmingham AL 35294-4461
> >> (205) 690-0808                  |
> >> ==================================================================
> >>
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