Hi,<br><br>why is the sqrt in line 215 of gmxcheck.c:<br> b0 = sqrt(idef->iparams[type].harmonic.rA);<br><br>Is this a bug or something I don't understand?<br><br>Roland<br clear="all"><br>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>
865-241-1537, ORNL PO BOX 2008 MS6309<br>