[gmx-users] Normal Modes

Dana Dogaru danutzadb at mymail.ro
Fri Mar 26 23:55:02 CET 2004

   Dear Gromacs users,
   I am trying to visualize the normal modes for methionine with g_nmens
   program but the problem is that I have obtained huge coordinates for the
   hydrogen atoms. I am wondering what went wrong?
   What I made use of are the following: double procedure, "lbfg" algorithm
   for energy minimization and g_nmeig to obtain the normal modes.
   Thanks in advance!

Martisoare virtuale prin http://felicitari.acasa.ro
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20040326/34781f6e/attachment.html>

More information about the gromacs.org_gmx-users mailing list