[gmx-users] #include "ffG45a3.itp"

Chih-Ying Lin chihying2008 at gmail.com
Mon Aug 25 08:53:11 CEST 2008


HI
1. when i make a .top file myself, i wrote the command #include "ffG45a3.itp".
with this command, does it mean that Gromacs will assign the force
field parameters automatically for those I do NOT write into the .top
file ?


2. the complete data for ffG45a3 are as follows
If I simply write "#include "ffG45a3.itp" in my .top file and do NOT
include others automatically. Or, I have to include all of them in my
.top file.

Thank you

Lin

ffG45a3.itp
ffG45a3.ddb
ffG45a3.hdb
ffG45a3.rtp
ffG45a3bon.itp
ffG45a3nb.itp
ffG45a3-c.tdb
ffG45a3-n.tdb
ffG45a3.atp



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