Hi ,
I'd like to use g_covar to calculate the average structure of a
trajectory. But at the moment, I'm not interested in any of the eig.
value/vector data (which takes a considerable amount of time to
calculate).
Was wondering: Is there a way to suppress the eig. value/vector/covar
matrix calculations when using g_covar, and only use it to calculate the
average structure? Or, is there another tool/method for calculating
average structures from trajectories?
Thanks,
Arneh
_______________________________________________
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
