that is normal ptraj syntax. his example has two
input traj files. yours may have 1, or 7. The important
thing is the radgyr line. did you try it and get it to work?
On 6/29/07, priya priya <priyaanand_27.yahoo.co.in> wrote:
>
> hi in this command you have said to take two input files, may i know
> why.ptraj prmtop << EOF
> trajin traj.1
> trajin traj.2
> radgyr out radgyr.dat :1-100
> EOF
>
>
>
> *Thomas Cheatham III <tec3.utah.edu>* wrote:
>
>
> > i am using that command,but it says cannot read radgyr with mod (r).
> > I have seen in the program,in ptraj, there is no file for radgyr.
>
> OK, somehow ptraj is trying to read a file named "radgyr" and it cannot
> find it or open it... This is unexpected unless you somehow did something
> like "trajin radgyr".
>
> Here is how I would run the radgyr command for a 100 residue protein:
>
> ptraj prmtop << EOF
> trajin traj.1
> trajin traj.2
> radgyr out radgyr.dat :1-100
> EOF
>
> -- tec3
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Received on Sun Jul 01 2007 - 06:07:32 PDT
