[gmx-users] local pressure calcuation for Gromacs-4.5
ljggmx at yahoo.com.sg
Fri Jan 28 08:18:52 CET 2011
I found there is a customised version "gromacs-4.0.2_localpressure" for
calculating the local pressure from the Gromacs website. I am wondering is there
a higher version? The reason is that I am using CHARMM FF and have done
membrane simulations using Gromacs-4.5. If I understand correctly, I need to
rerun the simulation using the customized version of Gromacs to calculate the
local pressure. However, I cannot use the -rerun option of
"gromacs-4.0.2_localpressure" as my trajectory is from a higher version.
Or is there any other tools that can calculate the local pressure of the
Thanks very much!
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