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From: Nicolas Floquet (nicolas.floquet_at_univ-montp1.fr)
Date: Tue Mar 11 2008 - 02:39:05 CDT
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Dear VMD users,
i actually try to design some parameters for a new Aminoacid residue to
further perform MD simulations with NAMD.
Using paratools as an interface, i run the optimization process with
Gaussian successufully.
However when i want to read the output to compute the hessian matrix,
the program failed (file format not recognized). The output is a
gaussian log file. Does someone has encountered the same problem ?
Nicolas Floquet
CNRS researcher
Faculty of pharmacy
Montpellier, France
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