AMBER Archive (2007)

Subject: AMBER: Is the simulation reasonable ? (SMD : dissocation antibody-antigen)

From: wang (c00jsw00_at_nchc.org.tw)
Date: Thu May 17 2007 - 01:41:39 CDT

Dear all ,
My simulation is aimed to dissocate the antibody-antigen and
used. My result is showed below :

       x0(t) x force work
(kcal/mol)
...................................................................................

   262.99600 262.95780 76.39850 2839.89123
   262.99700 262.98146 31.07620 2839.94496
   262.99800 263.00201 -8.01038 2839.95650
   262.99900 263.00664 -15.28246 2839.94485

I think the work is very large . And every body , Did you think
it is reasonable ?

thanks
wang
 

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