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 oplsaa 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 * /opt/gromacs-4.5.4/share/gromacs/top/oplsaa.ff/ffnonbonded.itp How to understand these charges on *top file, which topolbuild generates? Thanks for your instruction! Tom
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