[AMBER] Problems with MMPBSA and steered molecular dynamics

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Márcio Souza Damaso <msdamaso.yahoo.com.br>
Date: Tue, 16 Aug 2011 13:21:13 -0700 (PDT)

I'm trying to evaluate
the free energie between a lingand and receptor molecules. The
generation of trajectories run fine and the calculation of PBSA and
GBSA seems to be ok, but the process is not acomplished because the
file with the statistical analisys is not generated. Can anyone give
me some hint with this??

Very thanks. Márcio
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 16 2011 - 13:30:03 PDT