AMBER Archive (2003)

Subject: Re: AMBER: frozen x unfrozen

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Oct 21 2003 - 14:52:55 CDT

> Can I apply SHAKE to the molecule I want to keep frozen only?

It would have to be added to the code. I don't know how
feasible/difficult it would be. This sort of question
seems to arise about once a year.

Bill Ross

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