9 feb 2007 kl. 14.51 skrev Joern Lenz:
hi guys.
can anyone tell me if there is a loss of information when i convert
a trr file
into a less-storage-consuming xtc file ?
Yes. The online docs state: "The trajectories are written using a
reduced precision algorithm which works in the following way: the
coordinates (in nm) are multiplied by a scale factor, typically 1000,
so that you have coordinates in pm. These are rounded to integer
values."
/Erik
can i reconevrt the xtc file into trr again and then have no loss of
information ?
thanks for a very short answer
Greetings
Joern
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
[EMAIL PROTECTED] http://xray.bmc.uu.se/molbiophys
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
