[gmx-users] topolbuild and charges

Tom dnaafm at gmail.com
Fri Feb 3 06:31:23 CET 2012

Hello Gromacs Users:

Any one has the experience of topolbuild?

I tried to build *top file with the software of topolbuild

 ./topolbuild -n lipid -dir
/home/computer/Tom/topbuild/topolbuild1_3/topolbuild1_3/dat/gromacs -ff

I chose oplssaa. But from the generated *top file,* these charges in *top
file can*
*not match the partial charges in file (in gromacs package) of *

How to understand these charges on *top file, which topolbuild generates?
Thanks for your instruction!

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