AMBER Archive (2005)

Subject: Re: AMBER: Hbonds restraints OK but Dihedral restraints not applied

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Jan 04 2005 - 12:07:49 CST

> Now I want to bring back the backbone to a B-form by forcing
> Alpha, beta and so on to canonical values.
> What I meant is that even after a lot of minimisation iterations,

Try dynamics, low-temperature (10-100K) if you like.

Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu