AMBER Archive (2006)

Subject: Re: AMBER: bugfix for impropers in parmchk

From: David Mobley (dmobley_at_gmail.com)
Date: Fri Jan 20 2006 - 12:23:39 CST

Dr Case,

>
> Thanks for your patience and the patch. I've forwarded this to Junmei
> Wang
> to get comments, and I'll try it out myself as well. This has been a very
> busy time for many of us, but we will keep this problem in mind.
>
> [Of course, anyone else on the list is also welcome to weigh in with good
> information about what is going on here. Please don't leave everything up
> to Junmei and me.]

I'll look forward to hearing more on this. I've noticed problems in some
cases with this myself, as I've written before on this list (I think I
provided an example mol2 or pdb file at some point), and right now I always
manually check all of the impropers because in several cases problems sneak
through when I don't check. So I'm really interested in getting this to the
point where I don't have to manually check them. :)

David

...thanks again...dac
>
> --
>
> ==================================================================
> David A. Case | e-mail: case_at_scripps.edu
> Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
> The Scripps Research Institute | phone: +1-858-784-9768
> 10550 N. Torrey Pines Rd. | home page:
> La Jolla CA 92037 USA | http://www.scripps.edu/case
> ==================================================================
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>

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