NAMD job takes long time to finish 1 ns equilibration

From: Khoualdi Asma Feriel (
Date: Tue May 05 2020 - 14:57:27 CDT


I ran the equilibration for charmmGui generated input files for my membrane channel and ~1ns took me 8 days to finish on a two servers, knowing I am using max computational resources. Any suggestions as to why and how could I run it faster. My PI ran 200 ns of membrane protein in considerably less time.


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