On Fri, Jun 15, 2007, Matthew Danielson wrote:
> Is there a way
> to tell the leap program not to add hydrogens to the termini when
> generating a .top file?
You need to modify the PdbResMap section of your leaprc file, to not reference
CALA, NALA, etc. I *think* you can just remove this section and it will do
what you want, but be sure to check.
...hope this helps...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jun 20 2007 - 06:07:14 PDT