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.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
WANG,YING
Sent: Friday, October 19, 2007 5:20 PM
To: amber.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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Received on Sun Oct 21 2007 - 06:07:59 PDT
