AMBER Archive (2004)

Subject: Re: AMBER: About umbrella sampling in Amber 8

From: David A. Case (case_at_scripps.edu)
Date: Tue Jun 15 2004 - 11:05:59 CDT


On Mon, Jun 14, 2004, Yuhui Cheng wrote:

> Would you please tell me whether Amber 8 can do
> umbrella sampling with two dihedral angles at the same
> time? I didn't find any explanation from the manual.
>
This should not be a problem. Just put two restraint terms in your
RST file (see p. 138 of the Users' Manual).

...dac

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