Hi all,
My system is a membrane protein with DPPCs at the sides. It's about 20,000 atoms without water. I find it extremely slow to make the NMode entropy calculation
of 20 frames on 8 CPUs. It has been 10 days till now while the program is still running.
My question is: whether it is proper to strip DPPCs just like WATs for time-saving purpose? Will that influence the result of ¡÷S too much?
Can anyone give me a hand? Many thanks!
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Received on Thu Jun 14 2012 - 06:00:03 PDT
