minimization of the squared gradient

From: Krishnan, Marimuthu (krishnanm_at_ornl.gov)
Date: Mon May 19 2008 - 01:53:05 CDT

Dear all,
 
Is it possible to use NAMD to minimize the squared gradient of the potential energy? I would appreciate If someone could provide me a script for doing this.
 
Thanks.
Krishnan
 
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Dr. Marimuthu Krishnan
Postdoctoral Research Scholar,
Center for Molecular Biophysics,
Oak Ridge National Laboratory,
PO Box 2008 MS6164,
Oak Ridge, TN 37831-6164,
Tel : 001-865-574-6123
Fax : 001-865-576-7651
E-mail : krishnanm_at_ornl.gov

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