CCL: NAMD vs GROMACS?
- From: "Dr. Vitaly Chaban"
<vvchaban++gmail.com>
- Subject: CCL: NAMD vs GROMACS?
- Date: Fri, 4 Jul 2014 17:15:54 -0400
Sent to CCL by: "Dr. Vitaly Chaban" [vvchaban##gmail.com]
I believe NAMD is somewhat easier while gromacs is faster.
Dr. Vitaly V. Chaban
On Wed, Jul 2, 2014 at 10:20 AM, Andras Borosy
andras.borosy[]givaudan.com <owner-chemistry-,-ccl.net> wrote:
> Dear Colleagues,
>
> I wish to run MD simulations by using a relatively small host system
(with
> a small organic guest molecule) in batch mode at a parallel RedHat linux
> computer. NAMD vs GROMACS (or anything else) would be better for a novice?
>
> Many thanks,
>
> Andras Borosy
>
>