Re: AMBER: solvation energy

From: Peter Gannett <pgannett.hsc.wvu.edu>
Date: Wed, 07 Sep 2005 09:10:45 -0400

Taghdir:

Well, you can calculate the solvation energy with MM_PBSA but I'm not
sure if MM_PBSA will break this down to a per residue basis.

Pete

>>> taghdir_m.yahoo.com 09/07 6:08 AM >>>

Dear AMBER users,

I want to calculate solvation enengy of each residue in explicit water.


how can I do it.

Thanks in advance

 

Taghdir Majid

 



                
---------------------------------
 Click here to donate to the Hurricane Katrina relief effort.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Sep 07 2005 - 14:53:01 PDT
Custom Search