[AMBER] generalized distance restraint

From: Rausch, Felix <frausch.ipb-halle.de>
Date: Mon, 9 Mar 2009 14:48:01 +0100

Dear amber users,

I already started some Steered MD caclulations. Since I cant get the
makeDIST_RST program work properly I generated the REST-files by hand. They
look like the following:

 &rst iat=4676, 1583 r2=3.792, rk2=50, r2a=1.00,

Now i want to set up a calculation with 2 constraints at the same time,
something like "Decrease distance between atoms A and B while increasing
distance between atoms C and D". I read in the manual that this is possible
by the use of a generalized distance restraint constraint.

Is there anybody who already set up such a job who can maybe help me
generating a REST-file for this task? Despite reading the manual, im not sure
how to modify my REST-file to set the right parameters.

Thanks in advance,
Felix Rausch

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Received on Wed Mar 11 2009 - 01:10:23 PDT
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