AMBER Archive (2003)

Subject: Final energy minimization step

From: Andrei Leitão (ierdna_at_yahoo.com)
Date: Tue Feb 18 2003 - 14:30:08 CST

 Dear AMBER users,

 Should I do a final energy minimization step after
performing the molecular dynamic procedure?
 I have to analyze 100 DNA conformations and I know that
the minimization and dynamic algorithms are very different,
this is specially important because there will be a new
conformers population after minimization in relation to the
same conformers got from dynamic.
 Thank you very much for any kind of information.

=====
Andrei Leitão
Doutorando em Química Medicinal
Graduante Student in Medicinal Chemistry
NEQUIM - Núcleo de Estudos em Química Medicinal - Brasil
UFMG - Universidade Federal de Minas Gerais
NEQUIM - Medicinal Chemistry Group - Brazil
UFMG - Federal University of Minas Gerais

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