CPPTRAJ writes correctly formatted Amber restart files, and I have never
had a problem getting VMD to read them. What versions of CPPTRAJ and VMD
are you using? Those numbers aren't extra - they are number of atoms and
time and are specified in the format:
http://ambermd.org/formats.html#restart. (Note that there is actually a
third element, temperature, that is used for REMD restarts). Can you send
me off list the topology and restart in question so I can test? Thanks,
-Dan
On Thu, Feb 23, 2017 at 10:43 AM Elisa Pieri <elisa.pieri90.gmail.com>
wrote:
> Uh, thanks! Easier than expected! I took the main structure from the manual
> examples, I don't know if the same correction should be applied to the
> manual..
> BTW, I discovered that the RST7 was unreadable for VMD just because on line
> 2 cpptraj adds two numbers (energy and force?) after the number of atoms;
> another possible bug to be fixed?
>
> Thank you!
> Elisa
>
> On Thu, Feb 23, 2017 at 4:36 PM, Nhai <nhai.qn.gmail.com> wrote:
>
> > Hi
> >
> > Change coords to coordinates.
> >
> > Hai Nguyen
> >
> > > On Feb 23, 2017, at 10:05 AM, Elisa Pieri <elisa.pieri90.gmail.com>
> > wrote:
> > >
> > > coords
> >
> > _______________________________________________
> > 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
>
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Feb 24 2017 - 07:00:04 PST
