[gmx-developers] random xtc access in gmx-3.3

Guillem Portella gportel at gwdg.de
Fri Nov 4 17:06:30 CET 2005

Hi all!

I'm interested in including the random xtc access in my g_tools. So far, this 
is the sequence of functions I used to read the data I need:

After reading pdb and initialising t_atoms,

infile1 =open_xtc(fnms[0], "r");
infile2 =open_xtc(fnms[1], "r");

Because I read two xtc files at a time. Then I 

Then I do the skipping 'by hand', this is, not setting PCA_CAN_TIME
but defining them like in trjcat. The skipping is done using


Now, I have been looking at several g_tools, and it seems to me that this 
direct access is done in read_next_frame and friends. But those functions are 
just defined by one single xtc file, imho.

Are there any routines able to do the same but with multiple xtc, using 
fnms[ ] for example? 

Thanks in advanced,


 Guillem Portella 
 Computational biomolecular dynamics group at the 
 Max Planck Institute for Biophysical Chemistry 
 Am Fassberg 11 
 D-37077 Goettingen -- Germany --
 phone: ++49-551-2012309 
 fax: ++49-551-2012302 
 Email: gportel at gwdg.de 
 webpage: www.mpibpc.mpg.de/abteilungen/073/gportel/index.php

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