Hi Michael, I have a modified version of trjconv to extract velocities from a .trr and write them to a .xtc file. You can send me a mail off-list if you're interested.
Best, Tsjerk On 10/4/07, [EMAIL PROTECTED] <[EMAIL PROTECTED]> wrote: > > Hi: > I am involving in a project to analyse the vibrational spectrum of a > peptide. i am trying to do covariance analysis with the velocity data in a > .trr file using g_covar, since it doesn't take velocity by default, my plan > is to output that in a human readable file and swat that with the coordinate > data, but the program wouldn't take human readable input either. it is there > a easy way to translate the data back to .trr format or it is there a > different way to do this task? > > many thanks > regards > Michael > > > ------------------------------------------------------------------- > 快来参加博狂终级PK，IPod Nano等你来拿！( > http://d1.sina.com.cn/sina/limeng3/mail_zhuiyu/2007/mail_zhuiyu_20070918.html) > > =================================================================== > 注册新浪2G免费邮箱（http://mail.sina.com.cn/） > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > 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 > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623
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