AMBER: PMEMD with NMR restraint and position restraint

From: Ting Wang <twang.ucdavis.edu>
Date: Mon, 17 Jul 2006 16:18:31 -0700

Hi,

I am running PMEMD/amber9. I need to set both NMR distance restraints (nmropt=1) and position resstraints (ntr=1). But I found PMEMD can work with either restraint type alone but not both together.

Any suggestion?

Thanks,

Ting
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Received on Wed Jul 19 2006 - 06:07:08 PDT