AMBER Archive (2006)

Subject: AMBER: implicit solovent model by adjusting the parameter EXTDIEL ?

From: linfu (linfu3200_at_mail.sioc.ac.cn)
Date: Tue Sep 19 2006 - 01:40:52 CDT

Dear all!

Does amber do MD using implicit solovent model(other than water)
just by adjusting the parameter EXTDIEL=the dielectric of other solvents
in md.in file? however the amber force field may not be parametrized to
other solvents.
Any comments and suggestion will be appreciated!

BEST REGARDS
Fu Lin

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu