Dear Sir/Madam,
I could like to do TARGET MD or steered MD but define the pathway as the mean square internal deviation form the starting or the end geometry?
If yes, any examples can I used? How can I define the restrainst file?
Please kindly instruct. Thanks a lot.
Best regards,
Cat
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Received on Sat May 22 2010 - 05:00:03 PDT
