VMD-L Mailing List

From: Stanislaw Bobritsky (beavered_at_gmail.com)
Date: Mon Oct 19 2009 - 03:21:33 CDT

Hi, everyone!

I work with membrane which contains POPS and cholesterol. Hence I have to
parametrize these molecules.

I have successfully defined atom types, bond orders, etc, but I have a
trouble with optimized geometry, because optimization was performed with
GAMESS, which results not supported output. Thus I have following error
message: *"Couldn't read 'Input orientation'"*.

I tried to convert GAMESS to GAUSSIAN output with Babel, but the error
remains the same.
How can I fix it to obtain correct parameter files?

*sorry if this question was already asked here, but I didn't find it =(

Stanislaw Bobritsky,
ChemBio Center, Taras Shevchenko National University,
Kiev, Ukraine