AMBER Archive (2007)

Subject: RE: AMBER: question about h bond

From: Yong Duan (duan_at_ucdavis.edu)
Date: Fri Oct 19 2007 - 19:41:19 CDT

Explicit hydrogen bond terms using the (traditional) 10-12 formula was
present in earlier AMBER force fields. In more recent force fields, the
hydrogen bonds are effectively modeled by the electrostatic interactions.
Therefore, there are no longer explicit 10-12 terms in the new force fields.
Hope this helps.

yong

-----Original Message-----
From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
WANG,YING
Sent: Friday, October 19, 2007 5:20 PM
To: amber_at_scripps.edu
Subject: AMBER: question about h bond

Hi dear all,
I have a question about hydrogen bonds parameters of amber 9. I
check the force files, and found that parm 91 has h bonds
parameters but I didn't find it at other forcefield files like
parm99. I use another software to do the simulation by using amber
forcefiled so I have to modified the format of the forcefiled file
and check all the forcefiled parameters. Could anybody tell me
where I can find it? Or amber just use the h bond parameters of
parm91.dat? Thanks very much!! 

--
WANG,YING

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