Dear Jason
how can i convert the AMBER trajectory (.mdcrd) file in to the Gromacs
trajectory (.trr) file. i have find a solution which is mention as we did
this job by using VMD software. but its not converting the complete
trajectory file such as we upload the 13GB trajectory file of AMBER *.mdcrd*
and converted in to *.trr* it will convert just half (6.1GB) of them.
please suggest me how can i resolve this problem.
Thanks.
Vishal
On Sat, Jun 6, 2015 at 11:18 PM, MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com>
wrote:
> Dear Jason
>
> I have prep and frc file generated from antechamber.
> How to convert amber topology file to gromacs topology file from this file.
>
> Thanks
> Rahman
>
>
> '''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''
> *Md Homaidur Rahman*
> PhD Research Scholar
> Computational Biophysics Lab.
> Department of Biotechnology
> Indian Institute of Technology-Madras
> Chennai-600 036
> *Mobile No = +91- 7845991785*
>
> '''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''
>
> On Thu, Jun 4, 2015 at 7:03 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
>
> > Hello everyone,
> >
> > There have been a couple questions in recent months regarding the
> > conversion of Gromacs topology files to Amber format.
> >
> > This functionality now exists in the latest version of ParmEd available
> > online at https://github.com/ParmEd/ParmEd in the "gromber" action in
> > parmed.py.
> >
> > If you have questions about this functionality, please feel free to open
> an
> > issue on the issue tracker at https://github.com/ParmEd/ParmEd/issues
> >
> > For what it's worth, this code also includes functionality to go the
> other
> > way (i.e., Amber prmtop/inpcrd to Gromacs top/gro).
> >
> > All the best,
> > Jason
> >
> > --
> > Jason M. Swails
> > BioMaPS,
> > Rutgers University
> > Postdoctoral Researcher
> > _______________________________________________
> > 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
>
--
Vishal
Research Scholar,
Neuropharmaceutical Chemistry lab.,
Dr. B. R. Ambedkar Center for Biomedical Research,
University of Delhi, Delhi-110007
Email: *vishal.bioinfotech.gmail.com <vishal.bioinfotech.gmail.com>*
Phone: 91-11-27662778 Mobile: 91+9650736653
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jun 07 2015 - 02:30:02 PDT
