[gmx-users] Differences in version 3.0 and 3.3

Cheong Wee Loong, Daniel dcheong at ihpc.a-star.edu.sg
Tue Sep 2 05:52:59 CEST 2008

Hi Chris,

Thanks for your reply.  I pretty much only changed the executable.  The top/itp files did have to be modified a little bit because the formats were different, but all the parameters were the same.  I basically wrote a script to convert the formats.  Besides all the other energy values were consistent except for the Coul-14 interactions.


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