Hi Carlos,
Yes, I checked. The number of atoms are the same in both files. Both
doesn't have water.
Thanks,
Catherine
On Mon, Feb 3, 2020 at 1:26 PM Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> This message was sent from a non-IU address. Please exercise caution when
> clicking links or opening attachments from external sources.
> -------
>
> are you certain that your prmtop and your trajectory match in terms of
> number of atoms? if you removed water from the trajectory, are you using a
> prmtop that also has no water?
>
> On Mon, Feb 3, 2020 at 1:13 PM Catherine Jenifer Rajam Rajendran <
> catrajen.iu.edu> wrote:
>
> > Dear Amber Users,
> >
> > * When I read my MDCRD file in CPPTRAJ, it shows that it's reading 18 of
> > 1750 frames.
> >
> > INPUT TRAJECTORIES:
> > 0: 'prod_noW.mdcrd' is an AMBER trajectory, Parm native_nowat.top
> (reading
> > 18 of 1750)
> > Coordinate processing will occur on 18 frames.
> >
> > My mdcrd file actually contains 245,755 frames as per the following
> email:
> > http://archive.ambermd.org/201107/0414.html
> >
> > * When I TRAJIN my mdcrd file, I got the following warning:
> >
> > Warning: Trajectory only contains box lengths and topology has no box
> info.
> > Warning: To set box angles for topology use the 'parmbox' command.
> >
> > So, apparently my topology file doesn't have box information but my
> > trajectory file has box coordinates. Should I skip reading the box values
> > from trajectory file? If so, Can can I do it. And, I would like to know
> if
> > there is a way to understand why it reads less number of frames. Can
> > someone help me with this?
> >
> > Thanks,
> > Catherine
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 03 2020 - 11:00:03 PST
