PS, reading further:
> parm99.dat (which is the one loaded by tleap when I use source
> laprc.ff99SB) my pdb output file of the protein still shows the
> default (1.01 for H-N) bond distance value.
The actual distance won't reflect a parm.dat change until you
energy minimize the system, thus applying the potential to the
coordinates.
Bill
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Received on Tue May 25 2010 - 17:00:05 PDT
