Great, thanks! I'll give it a try.
On 7/8/13 1:02 PM, Justin Lemkul wrote:
On 7/8/13 12:58 PM, Justin Lemkul wrote:
On 7/8/13 12:56 PM, Diana Fusco wrote:
Hi Justin,
I have actually followed your tutorial to perform umbrella sampling
on CPU and
it worked great. Can I use the same file fo
On 7/8/13 12:58 PM, Justin Lemkul wrote:
On 7/8/13 12:56 PM, Diana Fusco wrote:
Hi Justin,
I have actually followed your tutorial to perform umbrella sampling on CPU and
it worked great. Can I use the same file for GPU acceleration or I have to add
some fields and commands?
There's nothi
On 7/8/13 12:56 PM, Diana Fusco wrote:
Hi Justin,
I have actually followed your tutorial to perform umbrella sampling on CPU and
it worked great. Can I use the same file for GPU acceleration or I have to add
some fields and commands?
There's nothing GPU-specific in the .mdp file.
-Justin
Hi Justin,
I have actually followed your tutorial to perform umbrella sampling on
CPU and it worked great. Can I use the same file for GPU acceleration or
I have to add some fields and commands?
Thanks!
Diana
On 7/8/13 12:47 PM, Justin Lemkul wrote:
On 7/8/13 12:08 PM, Diana Fusco wrote:
On 7/8/13 12:08 PM, Diana Fusco wrote:
Hello,
I'd like to know if it is possible with Gromacs 4.6 to perform umbrella sampling
using GPU with orientational restraints. If it is, can you give me a simple
example of mdp file to see how it works?
As to whether or not it works, mdrun will compl
Hello,
I'd like to know if it is possible with Gromacs 4.6 to perform umbrella
sampling using GPU with orientational restraints. If it is, can you give
me a simple example of mdp file to see how it works?
Thanks
Diana
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