AMBER Archive (2003)

Subject: Re: AMBER: Comparing PE of different conformations

From: Pratul K. Agarwal (pagarwal_at_linus.ornl.gov)
Date: Wed Aug 06 2003 - 11:40:16 CDT

Dr. Simmerling,

Thanks for the quick response.

> You should also read our article and subsequent
> ones about simulating trp-cage folding before
> you get too far with it. I think you are seeing force
> field artifacts. Parm98 is not a good choice (nor is
> parm94 or 99).

I did read the article and I was wondering if the only
changes you made to Parm99 forcefield were the 3 dihedrals?

With regards,

Pratul

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