Can also be done via command line:
cpptraj -p myparm.parm7 -y my_traj.nc -x my_traj.trr
On Wednesday, August 5, 2015, Hai Nguyen <nhai.qn.gmail.com> wrote:
> I forgot to add example
>
> parm myparm.parm7
> trajin my_traj.nc
> trajout my_traj.trr
>
> On Wed, Aug 5, 2015 at 11:47 AM, Hai Nguyen <nhai.qn.gmail.com
> <javascript:;>> wrote:
>
> > you can use cpptraj for this.
> >
> > check page 540 (http://ambermd.org/doc12/Amber15.pdf)
> >
> > just curious, why do you need to convert to trr file?
> >
> > Hai
> >
> > On Wed, Aug 5, 2015 at 11:41 AM, Vishal Nemaysh <
> > vishal.bioinfotech.gmail.com <javascript:;>> wrote:
> >
> >> Respected Sir/Madam
> >>
> >> i have tried to convert my AMBER trajectory (.mdcrd) file in to GROMACS
> >> trajectory format (.trr) by using VMD, but my *.mdcrd* file size is very
> >> large (*25 GB*), when i upload the file my computer system is totaly
> hang
> >> after completion and it will not give any response... sir how can i
> >> convert
> >> my this large file into .trr format.... plz kindly suggest me how can i
> >> resolve this prob...
> >>
> >> thanking you,
> >>
> >> --
> >> Vishal
> >> Research Scholar,
> >> Neuropharmaceutical Chemistry lab.,
> >> Dr. B. R. Ambedkar Center for Biomedical Research,
> >> University of Delhi, Delhi-110007
> >> Email: *vishal.bioinfotech.gmail.com <javascript:;> <
> vishal.bioinfotech.gmail.com <javascript:;>>*
> >> Phone: 91-11-27662778 Mobile: 91+9650736653
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org <javascript:;>
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org <javascript:;>
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 05 2015 - 09:30:02 PDT
