dear gustavo,
in parm99.dat they do exist:
C-C 310.0 1.525 Junmei et al 1999.
but if you "have" to use parm94 they don't appear
hope this helps
all the best,
ivan
On Wed, 3 Aug 2005, Gustavo Pierdominici Sottile wrote:
> 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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Received on Wed Aug 03 2005 - 16:53:00 PDT
