[gmx-users] concatenate NAMD trajectories

Natal Kanaan kanaan at zedat.fu-berlin.de
Thu Aug 14 16:05:24 CEST 2014


Hi again,
thanks a lot, it works!
Natal

>
>
> On 8/14/14, 9:16 AM, Natal Kanaan wrote:
>> Hi,
>> thanks a lot for your quick reply, but I still have a doubt about how to
>> "translate" my trjcat command to trjconv:
>> trjconv -t0 -timestep XX -f one.dcd two.dcd three.dcd -o total
>
> trjconv does not accept multiple entries to -f.  Use the concatenated .dcd
> file
> from trjcat.
>
>> what do I need to add instead of "-t0"?
>> should I add my timestep instead of XX (in ps)?
>
> Please read trjconv -h.
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
> ==================================================
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send
> a mail to gmx-users-request at gromacs.org.
>




More information about the gromacs.org_gmx-users mailing list