AMBER: 1-4 scaling factors

From: Stern, Julie <>
Date: Fri, 20 May 2005 15:13:22 -0400


    Is there a reason why the 1-4 vdw and 1-4 electrostatic scaling factors,
sncb and scee, are able to be set by the user? Under what physical
would a user be changing these, i.e. applying an electric field or something
like that?
    One of the developers pointed out that the values are wrong if they are
changed from the defaults because amber force fields were fit to those
so it wouldn't be amber if they were changed. So would the artificial
set by changing these be physically wrong or just algorithmically wrong with

respect to derived force fields? Or, do they just have no meaning off the


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Mon May 23 2005 - 09:53:01 PDT
Custom Search