AMBER Archive (2008)

Subject: AMBER: Vaccum Simulations in PMEMD !!

From: Sampath Koppole (sampathkoppole_at_yahoo.com)
Date: Thu Jun 05 2008 - 07:53:35 CDT

Dear Amber-users,
Is there a way one can do a standard vacuum MD simulation with or without cutoff (Equivalent to setting igb = 6 in Sander) using PMEMD version in Amber 9.

If not, has this been implemented in PMEMD version included in Amber 10 ?

Thanks for your time and help.

With best regards,
Sampath. 

-- 
*****************************************************************
Dr. Sampath Koppole,                                      
Horburgstr. 35
CH 4057 Basel
Switzerland.
Ph: +41-76-422-8100
*****************************************************************

      
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