|
|
Bioinformatics.org
|
![[?]](https://www.bioinformatics.org/images/icons/info.png)
|
|
Research
|
Online databases
Online analysis tools
Online education tools
|
|
Development
|
|
|
Forums
|
News & Commentary
Jobs Forum
(Career Center)
|
|
|
Ghemical: Molecular modelling - Message forums
|
         
|
 |
|
Expanded view | Monitor forum | Save place
|
Message
|
|
I have looked around to find the method that Ghemical uses to do a "simple" geometry optimization but havent found anything yet. Can someone tell me which gradient method is used to optimized the structures, and how it fairs with semi-empirical methods. - Thanks -
|
|
Post a followup to this message:
You have to be to post a reply.
Thread view
|
|
I have looked around to find the method that Ghemical uses to do a "simple" geometry optimization but havent found anything yet. Can someone tell me which gradient method is used to optimized the structures, and how it fairs with semi-empirical methods. - Thanks -
|
|
|
|
|
|
Anyone knows how to get a complete manual of ghemical?
What is the best way to proceed geometry optimization? delta cutoff or gradient?
No limited steps?
Regards,
Felipe
|
|
|
|
|
![[University of Birmingham]](https://www.bioinformatics.org/images/ack_banners/Birmingham-728x90.gif)
![[Patsnap]](https://www.bioinformatics.org/images/ack_banners/Patsnap-728x90.png)