On Wed, Apr 18, 2007, Sara Alexandra Moura wrote:
> I have used that site, but I need to use Xleap to solvate the system, and it
> does not recognize the C1-OH, even when created by that site. What is
> the point
> of having a carbohydrates parameters set, if I have to compute parameters
> for
> the C1-OH linkage, it makes no sense!
> I'm really frustrated...
So am I: I asked if you would tell us exactly what commands you used in LEaP,
but I don't think I saw them. Your problem could have all kinds of origins:
missing parameters in glycam, a bug in LEaP, operator error, bad
documentation, etc. Several people on the list have tried to help. Now you
have to do your part.
...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Apr 22 2007 - 06:07:12 PDT
