AMBER Archive (2008)

Subject: AMBER: Hybrid REMD amber10

From: Geoff Wood (geoffrey.wood_at_epfl.ch)
Date: Mon May 19 2008 - 07:41:54 CDT

Dear Amber users,

In amber10 the hybrid remd calculations have become a lot more user-
friendly, which is great. However, in the manual it states "In
particular this means that
the correct GB radii must be specified in the fully solvated topology
file," I was wondering if anyone could elaborate on this?

Thanks in advance.

----------------------------------------------------------------------------------------------------------------------------------
Dr Geoffrey Wood
Ecole Polytechnique Fédérale de Lausanne http://lcbcpc21.epfl.ch/Group_members/geoff/
SB - ISIC - LCBC
BCH
4108
                                                                       
tel: +41 21 693 03 23
CH - 1015 Lausanne e-
mail: geoffrey.wood_at_epfl.ch
----------------------------------------------------------------------------------------------------------------------------------

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu