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
#Frame phi:7 psi:7
1 -163.5672 128.3399
2 -146.4424 123.3144
3 -113.6709 -168.4860
4 -134.3021 145.7119
Hai
On Mon, Jun 1, 2015 at 3:27 PM, Michael Shokhen <michael.shokhen.biu.ac.il>
wrote:
> Dear Amber List members,
>
> What is a cpptraj command for generation Phi_Psi two columns file
> using aMD trajectory prod.nc file as input ?
>
> Thank you,
> Michael
>
> *****************************
> Michael Shokhen, PhD
> Associate Professor
> Department of Chemistry
> Bar Ilan University,
> Ramat Gan, 52900
> Israel
> email: michael.shokhen.gmail.com
> email: shokhen.mail.biu.ac.il
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Received on Mon Jun 01 2015 - 14:30:02 PDT
