On Wed, Jun 08, 2005, Martin Sippel wrote:
>
> Using ptraj's strip option, I get
> polypeptides without proper termini (missing OXT) due to truncation of
> adjacent amino acids;
If you remove the PdbResMap commands from your leaprc file, LEaP will not
try to add the OXT atoms. What you are trying is a very non-standard option,
so you should expect to have to play around a little to get it to work.
....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 Thu Jun 09 2005 - 05:53:00 PDT
