Re: AMBER: Amber & mutation

From: Tim Meyer <tim.mmb.pcb.ub.es>
Date: Thu, 10 Jun 2004 07:14:11 +0200

> imin=1, ncyc=250, maxcyc=500, ntb=0,
> they do, energy minimization supposes to fix the bad contacts, and result
> to changed helix structure? Or the current structure modeling methods

in 500 steps minimization you won't find any structural changes. run a
md, a nanosecond or so, and see what happens. you should also run a
control md of your 'wild type' helix

tim 


-- 
    =====!!!===== New Address + Phone ====!!!=====
    ==============================================
    _______________________________________________
  /                                                 \
/      Tim Meyer   --->  tim.mmb.pcb.ub.es          \
|                                                    |
|---   address . WORK   ---------------------------  |
|   Parc Cientific de Barcelona IRBB-MMB             |
|   Baldiri Reixac. 10-12   E-08028 Barcelona	     |
|   Tel: +34.93.40.37.155   Fax: +34.93.40.37.157    |
|                                                    |
|---   address . HOME   ---------------------------  |
|   C\ Sant Marti 11 5º 1ª  E-08001 Barcelona        |
|   Tel: +34.93.41.22.991   Cell: +34.68.75.80.087   |
\                                                   /
  \_________________________________________________/
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Jun 10 2004 - 09:53:00 PDT
Custom Search