Re: AMBER: minimization with my own charges

From: Ilyas Yildirim <yildirim.pas.rochester.edu>
Date: Thu, 31 Aug 2006 19:47:54 -0400 (EDT)

Yes, that will work. But in case something goes wrong, saveoff the whole
structure in a .lib file so that u can load the whole structure with the
new charge information.

Best,

On Thu, 31 Aug 2006, Myunggi Yi wrote:

> Can I do this way.
>
> I load my system, a normal protein with nomal amino acids.
> I will change the charges of 5 side chains of them.
> (where using xleap by changing the charge not deltacharge)
> then "saveamberparm".
>
> Of course, if I save the .lib file, I can reload and reuse it.
>
> Can I do this way?
>
>
> 

-- 
  Ilyas Yildirim
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Received on Sun Sep 03 2006 - 06:07:17 PDT
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