[AMBER] TI calculation: viewing lambda trajectories that are not 0 or 1 - (writing parm files)

From: g t <sketchfoot.gmail.com>
Date: Thu, 6 Jan 2011 07:02:15 +0000


Is there any way to get amber to write a parm file that represents the
structure used for lambda points between 0 and 1, (e.g. 0.., 0.2, etc)? That
way, the trajectory could be visualised in a viewer such as chimera or VMD.
The reason I am enquiring about this is that I am interested in preparing a
series of graphics that explain the lambda concept to people unfamiliar to
it in presentations, etc.

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Received on Wed Jan 05 2011 - 23:30:03 PST
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