The correct syntax to run CPPTRAJ is:
-p to load a PARMTOP
-y to load a coordinate/trajectory file
-i to load a CPPTRAJ script with instructions.
So, in your example, you are loading two files with instructions. Try
just loading the process.cpptraj with the -i flag and including the
command "parm prmtop" within it.
Hope that helps!
Rodrigo.
On Thu, Aug 9, 2018 at 1:17 AM Subrata Paul <paul.subrata34.gmail.com> wrote:
>
> Respected Sir
>
> I have installed amber16 with Ambertools17 in a desktop. The sander is
> working fine. But, when i tried
> /home/software/amber16/bin/cpptraj -i prmtop -i process.cpptraj
>
> its is not working.
> Is there any installation problem?
>
> --
>
>
>
>
> *With Best RegardsDr. Subrata PaulUGC-Dr. D. S. Kothari Post Doctoral
> FellowDepartment of Chemical Sciences*
>
> *Tezpur University*
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------------------------------------
Rodrigo Galindo-Murillo, 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)
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Received on Thu Aug 09 2018 - 00:30:04 PDT
