Dear Charmm users,
I am looking for a molecular dynamics software that improves well the performance (ns/day) of targeted molecular dynamics (TMD) method on GPU.
I have tested:
- Amber software on which TMD is not supported at all on GPU.
- NAMD software on which the performance is multiplied by 3 on GPU (compared to CPU) but still slow.
So my question is : is the TMD well supported on GPU with CHARMM ?
Thank you for your help.
Last edited by sziad54; 11/15/16 08:06 AM.