CCL: peptides geometry optimization
- From: "Mohammad Goodarzi"
<mohammad.godarzi*|*gmail.com>
- Subject: CCL: peptides geometry optimization
- Date: Wed, 26 Aug 2015 09:00:38 -0400
Sent to CCL by: "Mohammad Goodarzi" [mohammad.godarzi++gmail.com]
Hello,
I have a general question and I would like to know your thought in a
details way. I am looking to find a way to optimize the geometry of
peptides with different sizes. I don't have a supercomputer so I need a
simple, rather accurate way to do it (i know this is the dream of having
such software, I mean with a good accuracy) however, the speed is very
important for me because with hyperchem it takes like forever.
So, I need a way to find the best conformer of a peptide and then optimize
it geometry.
Any suggestion is welcome
Best Regards,
Mohammad