Re: [AMBER] sander minimization mini.in file for protein complex

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 9 Apr 2012 08:37:21 -0400

On Sun, Apr 08, 2012, Acoot Brett wrote:

> Dear All,

Please only send questions once. People are generally more willing to help
if you provide evidence that your tried to solve the problem yourself. For
example, giving details about experiments you made, and what the results were.

>  
> Suppose I have 1 chain protein with residue from 1 to 119, the
> restraintmask is as following.
>  
> restraintmask = ':1-119 & !.H=',
>  
> But if I have a protein complex, 1 chain with residue from 1 to 119,
> the other chain with residue from 1 to 30, will you please tell me the
> restraintmask?

Amber numbers residues consecutively, so the residue part of your
restraintmask would probably be :1-149.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 09 2012 - 06:00:04 PDT
Custom Search