[gmx-developers] b0=sqrt(rA) or b0=rA

Roland Schulz roland at utk.edu
Wed Sep 16 02:49:27 CEST 2009


why is the sqrt in line 215 of gmxcheck.c:
      b0 = sqrt(idef->iparams[type].harmonic.rA);

Is this a bug or something I don't understand?


ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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