[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!
   Daniela


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