[AMBER] Help with ncsu_abmd flooding mode

From: Fabrício Bracht <bracht.iq.ufrj.br>
Date: Thu, 16 Aug 2012 18:15:09 -0300

Hello Amber folks.
Is it possible to use the LCOD variable with ncsu_abmd? If so, are the
min and max variables required?

Secondly. I am having some trouble with the mdin file for the
ncsu_abmd simulation. My file goes like this:
Parameters for qmmm md run
.....parameters for md simulation...
......parameters for the qmmm part.....
.....and the rest of the variables (this is what the first two
questions of the email adress)

Once I run sander, the following error show up on the mdout file.
 ** NCSU-Error ** : 'md_qmmm.in', line:25, col:1 : unexpected character

Line 25 is the that specifies: ncsu_abmd

Any help here would be great
Thank you
Fabrício Bracht

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Received on Thu Aug 16 2012 - 14:30:03 PDT
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