AMBER Archive (2006)

Subject: AMBER: GLYCAM and ff98 atom-types

From: Gabbar S. Daaku (gabbarsinghdaaku_at_gmail.com)
Date: Thu Nov 16 2006 - 12:11:05 CST

Hi,

I am trying to simulate a system with carbohydrates and a protein. The
plan is to use GLYCAM and AMBER ff98. My question is how can I load
the two force-fields in Leap? Do I need to edit one of the leaprc
files to include either glycam in (or the other way around)? Also, I
am concerned about the difference in atom types that occur in the two
leaprc files.
leaprc.glycam04
        { "CG" "C" "sp3" }
        { "CY" "C" "sp3" }
leaprc.ff98
       { "CG" "C" "sp2" }
       { "CY" "C" "sp2" }

Any pointers would be great. Thank you.

GSD
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