Re: [AMBER] Reducing positional restraint gradually

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 23 Apr 2013 12:02:30 -0400

On Tue, Apr 23, 2013, Jan-Philip Gehrcke wrote:
>
> Since both types work independently in pmemd, I guess only minor changes
> are required to make the combination also work :-) To the developers: is
> it hard to make the combination of both restraint types work in
> pmemd(.cuda)?

Is it true that you can't combine these? Can you make a simple test case?
What is the error message?

...dac


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Received on Tue Apr 23 2013 - 09:30:03 PDT
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