Re: AMBER: radius of gyration

From: Thomas Cheatham III <>
Date: Fri, 22 Jun 2007 10:30:01 -0600 (Mountain Daylight Time)

> 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

-- tec3
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Received on Sun Jun 24 2007 - 06:07:46 PDT
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