AMBER Archive (2005)

Subject: AMBER: using position restraints in target MD?

From: Ben-Zhuo Lu (blu_at_mccammon.ucsd.edu)
Date: Fri Oct 21 2005 - 13:58:05 CDT


Dear Amber users,
I'm wondering if we can use position restrains in the
the target MD simulation. In TMD, both the parts defined by tgtfitmask
and tgtrmsmask will be affected, but sometimes, we want to keep
most part (not the masked part by tgtrmsmask) of the simulated system
stable.
Then, how to do it?

Thanks,

Ben.

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