<span style="font-size: 12pt; font-family: "Times New Roman";" lang="EN-US">Hi!<br>
<br>
I was just wondering: am I completelly wrong, or gromacs uses the BFGS hessian
approximation in order to do normal mode analysis, rather than the "real
and painfull to analitically second derive potentials" hessian?<br>
<br>
I'm wondering also if this approximation is as good for NMA as it is for
minimization procedures.<br>
<br>
</span><span style="font-size: 12pt; font-family: "Times New Roman";">Thanks a lot in advance,<br>
<br>
Jones</span>