[gmx-users] local pressure calcuation for Gromacs-4.5

Jianguo Li ljggmx at yahoo.com.sg
Fri Jan 28 08:18:52 CET 2011

Hi All,

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!

best regards,

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110128/23f582a9/attachment.html>

More information about the gromacs.org_gmx-users mailing list