[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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Martisoare virtuale prin http://felicitari.acasa.ro
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