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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Received on Sun Nov 19 2006 - 06:07:29 PST
