[Joelib-help] simplewriter -Tinker xyz format

[deepu m. <mar...@ya...>]

Hi

Im using simplewriter to write some Tinker XYZ files.I
am able to generate these TXYZ with all required
info,I believe .But when i run Tinker Minimizer the
program stops saying :Some Required Potential Energy
Parameters are Undefined.

Is this the problem with my Input file or the
necessary parameters are missing in Tinkers property
file i.e *.prm file .Im using mm2.prm file.

Any suggestion appreciated.

regards

Deepak


	

	
		
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