convergence monitoring...

From: Raul Araya Secchi (
Date: Tue Jun 05 2007 - 14:52:57 CDT

Dear NAMD users:
Iam performing some MD runs on NAMD that are preceded by some minimization steps, and I will like to set those minimization steps to end whenever the convergence (grsdient tolerance) reachs some point, for example 10e-4. I know that such thing can be done using a TcL script, but Im not quite sure how...Can any one give me advice on this Issue???
Raúl Araya
Universidad de Chile

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