PS - If you do not want the frame numbers in your output file you
could add the following after your 'multidihedral' command:
datafile test_multidihedral.dat noxcol
-Dan
On Mon, Jun 1, 2015 at 3:33 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Mon, Jun 1, 2015 at 5:03 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>
>> I often use "multidihedral" command in cpptraj
>>
>> parm ./Tc5b.top
>> trajin md1_prod.Tc5b.x
>> multidihedral phi psi resrange 7 out test_multidihedral.dat # phi/psi for
>> residue 7, written to test_multidihedral.dat file with format below
>>
>
> This is what I do, too. "multidihedral" is a newer command than
> "dihedral", so people with established workflows and scripts using the
> latter may not know about (or have never used) the former.
>
> If you are new, I suggest starting with "multidihedral".
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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--
-------------------------
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/
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Received on Mon Jun 01 2015 - 17:00:02 PDT
