NMR restrained MD

From: bernd wellenzohn <bernd.wellenzohn_at_uibk.ac.at>
Date: Tue 04 Jul 2000 11:43:56 +0200

Dear Amber users!!

I would like running several consecutive SANDER-runs with NMR
restraints. By starting a new job all time-averaged distances are reset
to the actual position. Is there any possibility to bypass this problem
(not by starting one giant simulation)? Maybe someone has experience by
manipulating the code for the NMR-module of SANDER?

Thank you in advance
Bernd Wellenzohn
Received on Tue Jul 04 2000 - 02:43:56 PDT
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