[gmx-users] help with Hessian Matrix again
Meli Massimiliano
m.meli at icrm.cnr.it
Thu Jun 9 12:16:48 CEST 2005
Hi All,
We have translated the hessian to readable format with gmxdump.
We have a protein of 562 atoms and the file consists of 562 steps, each
containing 3 frames.
We are not exactly sure what it means. We cannot understand which number
stands for which second derivative....
We attach underneath an example of how it looks like.
thanks a lot
Max
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: hessian_matrix_es.txt
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20050609/0e8f685c/attachment.txt>
More information about the gromacs.org_gmx-users
mailing list