Re: [AMBER] trajectory of minimization using generalized Born

From: David A Case <>
Date: Wed, 18 Mar 2015 18:03:54 -0400

On Wed, Mar 18, 2015, Edwin Helbert Aponte Angarita wrote:
> >
> > Do you know how can I get the trajectory when using generalized Born
> > implicit solvent?

I agree with Jason: we(you) need to double check that this is not operator
error. The code that dumps trajectories doesn't know or care whether
you have explicit or implicit solvent. Of course, completely unexpected
behavior is known to happen sometimes, but it's worth being sure
that the way you are calling sander is identical in the two examples.


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Received on Wed Mar 18 2015 - 15:30:02 PDT
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