[gmx-users] how to output the vectors of pricipal axes from theg_gyrate

[Mu Yuguang (Dr)]

Thanks. I get it.

Dr. Yuguang Mu
Division of Structural and Computational Biology
School of Biological Sciences
Nanyang Technological University
60 Nanyang Drive 
Singapore 637551
Tel: 63162885
Fax: 67913856
 

-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of David van der Spoel
Sent: Wednesday, February 22, 2006 3:46 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] how to output the vectors of pricipal axes from
theg_gyrate

Mu Yuguang (Dr) wrote:
> Dear All,
> 
> How to output the vectors of pricipal axes calculated from the
g_gyrate?
> 
>  
You'll have to edit the code, at line 253 in gmx_gyrate.c you will see 
the following:

#ifdef DEBUG
     pr_rvecs(stderr,0,"trans",trans,DIM);
#endif

If you change it to

     if (debug)
       pr_rvecs(debug,0,"trans",trans,DIM);

you can select printing of the matrix to the g_gyrate.log file by 
setting the -debug flag on the command line.