From: Nancy Singh (kapoornancy25_at_gmail.com)
Date: Tue Sep 14 2021 - 06:27:32 CDT
Hii,
I did MMPBSA calculation using cafe plugin from VMD. I run the calculations
for my 20ns trajectory file. Problem is it's taking a long time like almost
5 days for one calculation. Is there another way to make calculations
faster? I run the calculation on NAMD 2.14 linux multicore. When I tried
to run it with CUDA I got the error "Pair interaction calculation is not
supported in CUDA version".
Is there any way that I can run it on CUDA version? Any input on this will
be really helpful.
Thank you
Regards,
Nancy
This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:11 CST