[AMBER] NOESY volumes restraints

From: Eugene Sviridov <hoobbabubba.gmail.com>
Date: Mon, 6 Jul 2015 17:08:30 +0600

Hello,

I'm a beginner in bionmr.
I'm trying to solve DNA-duplex structure using MD with NOESY volumes as
restraints.
When I try to minimize the structure it looks like the molecule doesn't
feel any restraints: I tried to increase restraints weights, to use random
volumes values and no volumes restraints at all - resulting structures are
nearly the same (<0.5 RMSD).

Could it be connected with a wrong value of "oscale" parameter? I failed
to find any information about its determination. How could I estimate it?

Thanks
Eugene
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Received on Mon Jul 06 2015 - 04:30:02 PDT
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