Rotamerically Induced Perturbations - Latest Comments in Rotamerically Induced Perturbations

Re: Rotamerically Induced Perturbations

boscoh — Sun, 03 Sep 2017 22:15:18 -0000

Hi Joanna, thanks for the bug reports. Unfortunately, I have not worked on this for a few years, and have not kept up with Amber16.

Re: Rotamerically Induced Perturbations

Joanna — Tue, 22 Aug 2017 13:20:32 -0000

Hi Bosco, I am checking your method on my protein. I noticed two things: the script needs some small modifications to be used with Amber16, because the default restart format was changed to binary, and this is important in some places of the code. If I understood the errors correctly, the script depends a bit on the linux shell choice (I tried with bash at first) - stderr to stdout redirections do not work the same (in tcsh ">&" and in bash "&>").

Re: Rotamerically Induced Perturbations

boscoh — Tue, 10 Jun 2014 05:14:26 -0000

spam--
http://boscoh.com

Re: Rotamerically Induced Perturbations

Masud Aseen — Tue, 10 Jun 2014 05:12:39 -0000

Essay wring is a core activity in every student academic journey .It enables one to realize their academic dreams by here write a college paper for me That help us a lot to get an handy writing service for any kind of writing help.

Re: Rotamerically Induced Perturbations

Nurilsam — Thu, 29 May 2014 04:32:05 -0000

Simply, happy to know your writing that you've share is here about the education concerning issue.writing essay for students can help us a lot for any kind of education writing services and I hope in future you'll helps me more like this.

Re: Rotamerically Induced Perturbations

boscoh — Tue, 25 Mar 2014 07:07:26 -0000

Do you want to email me more details of how you ran it? PDB structure, commands, etc...

Re: Rotamerically Induced Perturbations

yyn — Sun, 23 Mar 2014 03:31:17 -0000

When I use it ,it always gives the error massage:
return math.sqrt(2 * energy / moment)
ZeroDivisionError: float division

Re: Rotamerically Induced Perturbations

Lynn — Mon, 30 Aug 2010 22:51:13 -0000

Hi, Bosco,
Nice work!
Could you please make the analysis script of tertiary coupling avaiable?

Re: Rotamerically Induced Perturbations

horacio — Wed, 15 Jul 2009 04:58:09 -0000

very nice!

Re: Rotamerically Induced Perturbations

pansapiens — Sun, 12 Jul 2009 21:41:12 -0000

Donnie: I noticed there are also (less well tested) wrapper scripts for NAMD in the package, along side the AMBER equivalents. I'm pretty sure NAMD is provided free of charge to academics, and may be another (cheaper) option.

Re: Rotamerically Induced Perturbations

Donnie Berkholz — Sun, 12 Jul 2009 20:26:03 -0000

AMBER costs $400 for academics, according to the website...

"Fees: Academic/non-profit/government: $400. Industrial (for-profit): $20,000 for new licensees, $15,000 for licensees of Amber 9. "