AMBER Archive (2005)

Subject: AMBER: bond parameters

From: Gustavo Pierdominici Sottile (gsottile_at_unq.edu.ar)
Date: Wed Aug 03 2005 - 09:39:34 CDT


Dear amber users,
                         I have already defined a new aminoacid which has
two carbon atoms (both type C) bonded. I look at parm94.dat and the
parameters for C-C are not present. Surprisingly, when using tleap -f
leaprcff.94, these parameters are not absent. How can I see which are the
parameters that leap reads for C-C interaction?
pd: I use desc to see if the bond topology was ok, and it looks well
Thanking in advance
Gustavo

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