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AMBER Archive (2002)Subject: Re: Do I have to rerun 1ns MD??
From: Holger Gohlke (gohlke_at_scripps.edu)
Dear Martin,
try "199-199" as input for your decomposition. Rerunning the MD job
Best regards
Holger
>>>>>
I'd like to ask you for advice or opinion.
I've run a 1ns MD in explicit solvent of a protein-ligand complex to
Is there a way how to avoid rerunning the 3-week MD job and get the
Thank you for your comments.
Best regards,
Martin
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-- +++++++++++++++++++++++++++++++++++++++++++++ Dr. Holger Gohlke Dept. of Molecular Biology, TPC15 The Scripps Research Institute 10550 N. Torrey Pines Rd. La Jolla CA 92037 USA phone: +1-858-784-9788 fax: +1-858-784-8896 email: gohlke_at_scripps.edu +++++++++++++++++++++++++++++++++++++++++++++
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