Posts by DeAxes

Message boards : Application Info : Update Charmm

( Message 7057 )
Posted 1624 days ago by DeAxes

Can thay release the source code of framework, like Poem??
Community can help...

I think CHARMM is a commercial software...

You're right.
In the CHARMM site:
"Academic users can obtain CHARMM by contacting The CHARMM Development Project.
For-profit companies should contact Accelrys Inc.We distribute the source code of the CHARMM program with documentation to individual academic research groups for a $600 licensing fee"

So, no upgrade until the team decide to do it...

I have to believe that the commercial Charmm software has free upgrades, at least for academic users. An upgrade price is a good reason not to upgrade, but if its a free upgrade, then I feel its just their laziness/unwilling to put the time/effort into it.

Message boards : Application Info : Update Charmm

( Message 7037 )
Posted 1636 days ago by DeAxes

You're right - latest stable version is c37b1.
Still, it shouldn't be running on 5 year old software when there is a new release every couple of months.

Message boards : Application Info : Update Charmm

( Message 7032 )
Posted 1637 days ago by DeAxes

I'm wondering why you are still using Charmm version c34a2, a developmental release from 2007. The latest developmental release is 37a1 and has not only performance enhancements, but OpenMM support (including GPU support). The latest stable release is from september 2011, c36b1, which also has performance enhancements and GPU support. BTW, I'm a bit confused when you say Charmm version 7, as it doesn't correspond to any known version numbering systems from http://www.charmm.org . Is there any reason that you are staying on a developmental release from 2007?

Message boards : Wish list : Cuda support for Docking@home

( Message 7031 )
Posted 1637 days ago by DeAxes

I've been wondering why there isn't CUDA support. If they upgrade CHARMM from version 34a2 (developmental release from 2007) to the latest version, then they would not only gain better performance (not sure about that point) but also the ability to use OpenMM. OpenMM is what is used in Folding@home to enable GPU acceleration. Is there any reason to stay on a developmental release from 2007?