AMBER Archive (2006)

Subject: AMBER: PMEMD with NMR restraint and position restraint

From: Ting Wang (
Date: Mon Jul 17 2006 - 18:18:31 CDT


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?



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