AMBER Archive (2005)

Subject: Re: AMBER: bond parameters

From: ivan_at_mmb.pcb.ub.es
Date: Wed Aug 03 2005 - 09:54:29 CDT

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu