On Mon, Jan 17, 2005, Gustavo Pierdominici Sottile wrote:
> Hi, I am trying to make leap recognize the pdb input that has a non-
> standard aminoacid. I have made the .in file, an have already developed the
> parameters.
I'm not sure what you mean by the ".in" file; can you post an example that
doesn't work?
> The problems is that when I load the input.pdb the parameters
> that are absents are not what they should be. For example, it appears that a
> CW-C bond is absent, but I have not this bond in the non standard aminoacid.
Again, we will have to see details to be of any real help.
....good luck...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Jan 17 2005 - 18:53:01 PST
