Dear Ben,
As you're obviously using Amber8, you can use positional restraints as
usually, with ntr=1 and restraint mask and weight set...
Cheers,
-Viktor
Ben-Zhuo Lu wrote:
> 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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--
===================================================================
Viktor Hornak
Center for Structural Biology Phone: (631)632-1439
SUNY at Stony Brook Fax: (631)632-1555
Stony Brook, NY 11794-5115 E-mail: viktor.hornak.sunysb.edu
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Received on Fri Oct 21 2005 - 21:53:00 PDT
