CCL: NAMD vs GROMACS?



 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
 >
 >