On 8/23/19 2:27 AM, Lei Qian wrote:
Thank you Dr. Lemkul,
I continued to use the GROMOS 43a1p for my simulation.
I did simulation for 2 proteins separately: one is WT, the other one is its
one-residue mutant.
And I finished em, NVT, NPT and 1 ns Production (4 steps) for both proteins.
Howeve
Dear Gromacs user,
Using a machine with below configurations and also below command I tried to
simulate a system with 479K atoms (mainly water) on CPU-GPU, the
performance is around 1ns per 1 hour.
According the information and also shared log file below, I would be so
appreciated if you could comm
